(* Content-type: application/vnd.wolfram.mathematica *) (*** Wolfram Notebook File ***) (* http://www.wolfram.com/nb *) (* CreatedBy='Mathematica 9.0' *) (*CacheID: 234*) (* Internal cache information: NotebookFileLineBreakTest NotebookFileLineBreakTest NotebookDataPosition[ 157, 7] NotebookDataLength[ 296100, 6231] NotebookOptionsPosition[ 292603, 6140] NotebookOutlinePosition[ 293102, 6160] CellTagsIndexPosition[ 293059, 6157] WindowFrame->Normal*) (* Beginning of Notebook Content *) Notebook[{ Cell[BoxData[ RowBox[{ RowBox[{"(*", " ", RowBox[{ RowBox[{ "Kimball", " ", "model", " ", "and", " ", "energy", " ", "derived", " ", "from", " ", "Wolfram", " ", "source"}], ",", " ", RowBox[{"ES", " ", "13", " ", "April", " ", "2013"}]}], " ", "*)"}], " ", "\[IndentingNewLine]", RowBox[{ RowBox[{"Clear", "[", RowBox[{ "tw", ",", "n2", ",", "n", ",", "nb", ",", "bc", ",", "bh", ",", "u", ",", "u1", ",", "u2", ",", "Vee", ",", "Vne", ",", "Vnn"}], "]"}], ";"}], " "}]], "Input", CellChangeTimes->{{3.568278170270548*^9, 3.568278174310955*^9}, { 3.5682782109554195`*^9, 3.5682782183342323`*^9}, {3.5688220426984916`*^9, 3.5688220506389055`*^9}, {3.568822092353379*^9, 3.568822134660653*^9}, { 3.5688728241768503`*^9, 3.568872825034852*^9}, {3.5688958900531473`*^9, 3.5688958965115585`*^9}, {3.5689027504159966`*^9, 3.568902751695199*^9}, { 3.5689109808408637`*^9, 3.568910992618884*^9}, {3.569134574760273*^9, 3.569134584135889*^9}, 3.56923802266416*^9, {3.56933446475942*^9, 3.569334471239791*^9}, {3.5693395229642725`*^9, 3.569339531606688*^9}, { 3.5694332905109916`*^9, 3.56943330667262*^9}, {3.570297588441428*^9, 3.5702976026530533`*^9}, {3.570558862041448*^9, 3.5705588713234644`*^9}, 3.5705590387585583`*^9, {3.570855141170933*^9, 3.570855146100541*^9}, { 3.5708563212974052`*^9, 3.5708563224362073`*^9}, {3.5708588179101906`*^9, 3.570858820452995*^9}, 3.570949483910489*^9, {3.5719810762355733`*^9, 3.5719810786847773`*^9}, 3.5723256977094345`*^9, 3.572583124905918*^9, { 3.5727976670013523`*^9, 3.572797667157352*^9}, 3.5728672700652885`*^9, { 3.5732075583876934`*^9, 3.5732075588400946`*^9}, {3.573221345358634*^9, 3.57322135451585*^9}, {3.573369135900576*^9, 3.5733691365557775`*^9}, { 3.574682961367374*^9, 3.5746829644717793`*^9}, 3.5747440056200757`*^9, { 3.574833269418433*^9, 3.5748332704636354`*^9}, 3.574833303161292*^9}], Cell[BoxData[ RowBox[{ RowBox[{"ChemicalData", "[", RowBox[{"\"\\"", ",", "\"\\""}], "]"}], "\[IndentingNewLine]"}]], "Input", CellChangeTimes->{{3.570856547809803*^9, 3.5708565502590075`*^9}, 3.5708567094884872`*^9, 3.5709425310070767`*^9, 3.5730457924857635`*^9, 3.5746613722183495`*^9, 3.574701612088543*^9}], Cell[BoxData[{ RowBox[{ RowBox[{"t1", "=", RowBox[{"0.01889726", "*", RowBox[{"ChemicalData", "[", RowBox[{"\"\\"", ",", "\"\\""}], "]"}]}]}], ";"}], "\n", RowBox[{"MatrixForm", "[", "t1", "]"}]}], "Input", CellChangeTimes->{ 3.57029749846047*^9, {3.570297893562364*^9, 3.5702979152152023`*^9}, { 3.5704535321223855`*^9, 3.570453555038826*^9}, {3.570558892227501*^9, 3.5705589112283344`*^9}, {3.5705589864360666`*^9, 3.5705590132681136`*^9}, {3.5705590525489826`*^9, 3.5705590747322216`*^9}, {3.570595322227199*^9, 3.5705953504632483`*^9}, 3.570855059411189*^9, 3.570856566545436*^9, 3.5709425310226765`*^9, 3.5730457924857635`*^9, 3.5746613722339497`*^9, 3.574701612088543*^9}], Cell[BoxData[ RowBox[{"u", "=", RowBox[{"ChemicalData", "\[NoBreak]", "[", RowBox[{"\"\\"", ",", "\"\\""}], "]"}]}]], "Input", CellChangeTimes->{ 3.57029749846047*^9, {3.570297893562364*^9, 3.5702979152152023`*^9}, { 3.5704535321223855`*^9, 3.570453555038826*^9}, {3.570558892227501*^9, 3.5705589112283344`*^9}, {3.5705589864360666`*^9, 3.5705590132681136`*^9}, 3.5705592408949137`*^9, {3.5705593512807074`*^9, 3.5705593890483737`*^9}, { 3.570559442712468*^9, 3.5705594826641383`*^9}, 3.5708550837628317`*^9, 3.570856587480673*^9, 3.5709425310226765`*^9, 3.5730457925169635`*^9, 3.57466137224955*^9, 3.574701612104143*^9}], Cell[BoxData[ RowBox[{"n", "=", RowBox[{"Length", "[", "t1", "]"}]}]], "Input", CellChangeTimes->{{3.568278170270548*^9, 3.568278174310955*^9}, { 3.5682782109554195`*^9, 3.5682782183342323`*^9}, {3.5688220426984916`*^9, 3.5688220506389055`*^9}, {3.568822092353379*^9, 3.568822123693834*^9}, 3.568873215924739*^9, 3.5689108676002645`*^9, 3.5689997098237543`*^9, 3.5689998170115423`*^9, 3.568999886915265*^9, 3.5691460425981283`*^9, { 3.5692371678918586`*^9, 3.569237204489523*^9}, 3.569237465805582*^9, 3.56923802261736*^9, 3.5693403424025126`*^9, 3.5693404501675014`*^9, 3.569340737988007*^9, 3.569340852819809*^9, 3.569341165475558*^9, 3.56934149694494*^9, 3.569342614390503*^9, 3.569343567162176*^9, 3.569343662712344*^9, 3.569343763597721*^9, 3.5693440703198595`*^9, 3.569344266209404*^9, 3.5702973471714044`*^9, 3.5702974395391665`*^9, { 3.570297637207114*^9, 3.570297637987115*^9}, 3.570297920051211*^9}], Cell[BoxData[ RowBox[{"un", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"u", "[", RowBox[{"[", "i", "]"}], "]"}], "\[Equal]", "\"\\""}], ",", "\"\\"", ",", RowBox[{"u", "[", RowBox[{"[", "i", "]"}], "]"}]}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "n"}], "}"}]}], "]"}]}]], "Input", CellChangeTimes->{{3.568807971988578*^9, 3.5688080897687845`*^9}, { 3.5688081769573374`*^9, 3.5688081865669546`*^9}, {3.568808274317109*^9, 3.5688082853151283`*^9}, {3.5688085365847692`*^9, 3.568808578330443*^9}, { 3.568808822704872*^9, 3.5688088761037655`*^9}, {3.56880890727262*^9, 3.568808937365073*^9}, {3.568809097608555*^9, 3.5688091594002633`*^9}, 3.5688092418308077`*^9, {3.5688092753552666`*^9, 3.568809302577315*^9}, { 3.5688096257786827`*^9, 3.568809703201618*^9}, {3.5688097456336927`*^9, 3.568809788268568*^9}, 3.568809850575077*^9, {3.568809946562046*^9, 3.5688099535664577`*^9}, {3.5688100003197403`*^9, 3.568810008556555*^9}, { 3.568810075371472*^9, 3.56881007981748*^9}, {3.568813431920168*^9, 3.568813533086345*^9}, {3.5688135960324554`*^9, 3.5688136045344706`*^9}, { 3.5688136407889347`*^9, 3.568813707494652*^9}, {3.568813812529636*^9, 3.5688138275524626`*^9}, {3.5688140611940727`*^9, 3.568814062738476*^9}, { 3.568814121113778*^9, 3.5688141965555105`*^9}, {3.568814326675339*^9, 3.568814331074547*^9}, 3.568814589473401*^9, 3.5688146762563534`*^9, 3.56881472549004*^9}], Cell[BoxData[ RowBox[{ RowBox[{"num1", "=", RowBox[{"Table", "[", RowBox[{"i", ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "n"}], "}"}]}], "]"}]}], ";"}]], "Input", CellChangeTimes->{{3.568807971988578*^9, 3.5688080897687845`*^9}, { 3.5688081769573374`*^9, 3.5688081865669546`*^9}, {3.568808274317109*^9, 3.5688082853151283`*^9}, {3.5688085365847692`*^9, 3.568808578330443*^9}, { 3.568808822704872*^9, 3.5688088761037655`*^9}, {3.56880890727262*^9, 3.568808937365073*^9}, {3.568809097608555*^9, 3.5688091594002633`*^9}, 3.5688092418308077`*^9, {3.5688092753552666`*^9, 3.568809302577315*^9}, { 3.5688096257786827`*^9, 3.568809703201618*^9}, {3.5688097456336927`*^9, 3.568809788268568*^9}, 3.568809850575077*^9, {3.568809946562046*^9, 3.5688099535664577`*^9}, {3.5688100003197403`*^9, 3.568810008556555*^9}, { 3.568810075371472*^9, 3.56881007981748*^9}, {3.568813431920168*^9, 3.568813533086345*^9}, {3.5688135960324554`*^9, 3.5688136045344706`*^9}, { 3.5688136407889347`*^9, 3.568813707494652*^9}, {3.568813812529636*^9, 3.5688138275524626`*^9}, {3.5688140611940727`*^9, 3.568814062738476*^9}, { 3.568814121113778*^9, 3.5688141965555105`*^9}, {3.568814326675339*^9, 3.568814331074547*^9}, 3.568814589473401*^9, {3.5688146762563534`*^9, 3.5688146829331646`*^9}, 3.5688147231032352`*^9, 3.5688216336189733`*^9, 3.5711137970191836`*^9}], Cell[BoxData[ RowBox[{ RowBox[{"um", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"{", RowBox[{ RowBox[{"un", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"num1", "[", RowBox[{"[", "i", "]"}], "]"}]}], "}"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "n"}], "}"}]}], "]"}]}], ";"}]], "Input", CellChangeTimes->{{3.568807971988578*^9, 3.5688080897687845`*^9}, { 3.5688081769573374`*^9, 3.5688081865669546`*^9}, {3.568808274317109*^9, 3.5688082853151283`*^9}, {3.5688085365847692`*^9, 3.568808578330443*^9}, { 3.568808822704872*^9, 3.5688088761037655`*^9}, {3.56880890727262*^9, 3.568808937365073*^9}, {3.568809097608555*^9, 3.5688091594002633`*^9}, 3.5688092418308077`*^9, {3.5688092753552666`*^9, 3.568809302577315*^9}, { 3.5688096257786827`*^9, 3.568809703201618*^9}, {3.5688097456336927`*^9, 3.568809788268568*^9}, 3.568809850575077*^9, {3.568809946562046*^9, 3.5688099535664577`*^9}, {3.5688100003197403`*^9, 3.568810008556555*^9}, { 3.568810075371472*^9, 3.56881007981748*^9}, {3.568813431920168*^9, 3.568813533086345*^9}, {3.5688135960324554`*^9, 3.5688136045344706`*^9}, { 3.5688136407889347`*^9, 3.568813707494652*^9}, {3.568813812529636*^9, 3.5688138275524626`*^9}, {3.5688140611940727`*^9, 3.568814062738476*^9}, { 3.568814121113778*^9, 3.5688141965555105`*^9}, {3.568814326675339*^9, 3.568814331074547*^9}, 3.568814589473401*^9, {3.5688146762563534`*^9, 3.5688146885023746`*^9}, 3.5688147203576307`*^9, 3.56882164316619*^9, 3.57111380070079*^9}], Cell[BoxData[ RowBox[{"us", "=", RowBox[{"Sort", "[", "um", "]"}]}]], "Input", CellChangeTimes->{{3.568807971988578*^9, 3.5688080897687845`*^9}, { 3.5688081769573374`*^9, 3.5688081865669546`*^9}, {3.568808274317109*^9, 3.5688082853151283`*^9}, {3.5688085365847692`*^9, 3.568808578330443*^9}, { 3.568808822704872*^9, 3.5688088761037655`*^9}, {3.56880890727262*^9, 3.568808937365073*^9}, {3.568809097608555*^9, 3.5688091594002633`*^9}, 3.5688092418308077`*^9, {3.5688092753552666`*^9, 3.568809302577315*^9}, { 3.5688096257786827`*^9, 3.568809703201618*^9}, {3.5688097456336927`*^9, 3.568809788268568*^9}, 3.568809850575077*^9, {3.568809946562046*^9, 3.5688099535664577`*^9}, {3.5688100003197403`*^9, 3.568810008556555*^9}, { 3.568810075371472*^9, 3.56881007981748*^9}, {3.568813431920168*^9, 3.568813533086345*^9}, {3.5688135960324554`*^9, 3.5688136045344706`*^9}, { 3.5688136407889347`*^9, 3.568813707494652*^9}, {3.568813812529636*^9, 3.5688138275524626`*^9}, {3.5688140611940727`*^9, 3.568814062738476*^9}, { 3.568814121113778*^9, 3.5688141965555105`*^9}, {3.568814326675339*^9, 3.568814331074547*^9}, 3.568814589473401*^9, {3.5688146762563534`*^9, 3.5688146945707855`*^9}}], Cell[BoxData[ RowBox[{"num", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"us", "[", RowBox[{"[", RowBox[{"i", ",", "2"}], "]"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "n"}], "}"}]}], "]"}]}]], "Input", CellChangeTimes->{{3.56881016518083*^9, 3.5688102745058217`*^9}, { 3.5688103430679426`*^9, 3.5688103543155622`*^9}, {3.5688124958093233`*^9, 3.568812496386524*^9}, {3.5688126345871673`*^9, 3.568812635491969*^9}, { 3.568812673025635*^9, 3.5688126732128353`*^9}, {3.5688127492161684`*^9, 3.568812848541543*^9}, 3.5688129280080824`*^9, {3.568813062152718*^9, 3.5688131360032477`*^9}, 3.568813172678912*^9, 3.568821701869093*^9}], Cell[BoxData[ RowBox[{ RowBox[{"For", "[", RowBox[{ RowBox[{"i", "=", "1"}], ",", RowBox[{"i", "<", RowBox[{"n", "+", "1"}]}], ",", RowBox[{"i", "++"}], ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"us", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "\[Equal]", "\"\\""}], ",", RowBox[{ RowBox[{"us", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "=", "\"\\""}]}], "]"}]}], "]"}], ";"}]], "Input", CellChangeTimes->{{3.568277663590458*^9, 3.568277712652544*^9}, 3.5682785838808746`*^9, {3.56880682872497*^9, 3.568806862015428*^9}, 3.5688069650848093`*^9, 3.568807273668951*^9, 3.5688073087846127`*^9, { 3.568807384553946*^9, 3.5688073893119545`*^9}, {3.56881489654434*^9, 3.5688149048591547`*^9}, {3.568821714349115*^9, 3.568821718951123*^9}}], Cell[BoxData[{ RowBox[{"u1", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"us", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "\[Equal]", "\"\\""}], ",", "0.255", ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"us", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "\[Equal]", "\"\\""}], ",", "0.12", ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"us", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "\[Equal]", "\"\\""}], ",", "0.24", ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"us", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "\[Equal]", "\"\\""}], ",", "0.178", ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"us", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "\[Equal]", "\"\\""}], ",", "0.5"}], "]"}]}], "]"}]}], "]"}]}], "]"}]}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "n"}], "}"}]}], "]"}]}], "\[IndentingNewLine]", RowBox[{"u2", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"us", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "\[Equal]", "\"\\""}], ",", "0.25618", ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"us", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "\[Equal]", "\"\\""}], ",", "0.6", ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"us", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "\[Equal]", "\"\\""}], ",", "0.22522", ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"us", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "\[Equal]", "\"\\""}], ",", "0.18048", ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"us", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "\[Equal]", "\"\\""}], ",", "0.48698"}], "]"}]}], "]"}]}], "]"}]}], "]"}]}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "n"}], "}"}]}], "]"}]}]}], "Input", CellChangeTimes->{{3.5679480369450207`*^9, 3.567948069112277*^9}, { 3.5679486805553513`*^9, 3.5679487948723516`*^9}, 3.567950206581231*^9, { 3.5681216077716007`*^9, 3.5681216839309344`*^9}, {3.568266380090639*^9, 3.5682664108850937`*^9}, {3.568266481350417*^9, 3.56826649971165*^9}, 3.5682795170433135`*^9, {3.5682795636873956`*^9, 3.5682797843809834`*^9}, { 3.568279837187076*^9, 3.5682798459854913`*^9}, {3.568279877201146*^9, 3.568279880711152*^9}, {3.5682799570264864`*^9, 3.5682799599124913`*^9}, { 3.5683770044498715`*^9, 3.5683771523693314`*^9}, 3.5688133425788107`*^9, { 3.568814931192001*^9, 3.5688150075073347`*^9}, {3.5688765350957685`*^9, 3.5688765981198792`*^9}, {3.568876634452343*^9, 3.5688766352167444`*^9}, { 3.568894358551657*^9, 3.5688944054453397`*^9}, {3.568894522929146*^9, 3.5688945259087515`*^9}, {3.5688946101644993`*^9, 3.5688946171221113`*^9}, {3.568894651067771*^9, 3.568894651956972*^9}, 3.5688946827982264`*^9, {3.568894734527918*^9, 3.568894735495119*^9}, { 3.5688947726699843`*^9, 3.568894773496786*^9}, {3.5688948078948464`*^9, 3.568895097914956*^9}, {3.5689558039020233`*^9, 3.568955804619624*^9}, { 3.5689559169086213`*^9, 3.5689559179070234`*^9}, {3.5689559496998787`*^9, 3.568955950589081*^9}, {3.568956090817727*^9, 3.568956118273775*^9}, 3.5689561556982408`*^9, {3.5690814230317364`*^9, 3.5690814238897376`*^9}, { 3.569232478412421*^9, 3.5692324795356236`*^9}, {3.5692325096124763`*^9, 3.5692325115780797`*^9}, {3.5692325933846235`*^9, 3.569232594289425*^9}, { 3.569235467676072*^9, 3.5692354683780737`*^9}, {3.5692358857568064`*^9, 3.5692358867552085`*^9}, {3.569236173312112*^9, 3.569236174060913*^9}, { 3.569344745239445*^9, 3.569344781213108*^9}, {3.5693896312339673`*^9, 3.5693896351495743`*^9}, {3.5693896840088596`*^9, 3.5693896981112843`*^9}, {3.5693897680462074`*^9, 3.5693897743798184`*^9}, 3.570595843597315*^9, 3.5705958765133724`*^9, {3.5706006955110383`*^9, 3.57060069660304*^9}, {3.570600739659116*^9, 3.5706007402207165`*^9}, { 3.5706007784563837`*^9, 3.5706008313872766`*^9}, {3.5706008641161346`*^9, 3.5706008892321787`*^9}, 3.5706010214580107`*^9, {3.5706011135917726`*^9, 3.570601115058175*^9}, {3.5706011509850388`*^9, 3.5706011750714808`*^9}, { 3.5706012352719865`*^9, 3.570601260746831*^9}, 3.570856110868636*^9, 3.570856144034294*^9, 3.5708561753903494`*^9, {3.5708562115824127`*^9, 3.570856236261656*^9}, 3.5708568877188005`*^9, 3.570856960992129*^9, { 3.5708570022854013`*^9, 3.570857003424204*^9}, 3.5708574863854513`*^9, 3.570857676003785*^9, {3.570857720697863*^9, 3.570857774736358*^9}, { 3.570857815015629*^9, 3.570857815265229*^9}, {3.5708578488052883`*^9, 3.5708579513754683`*^9}, {3.5708579844319267`*^9, 3.570858009937971*^9}, { 3.5708583084132957`*^9, 3.570858421435494*^9}, {3.5727961392438684`*^9, 3.57279614016427*^9}, {3.572796215855603*^9, 3.5727962193812094`*^9}, { 3.5731452670909014`*^9, 3.573145275920517*^9}, {3.573366168242963*^9, 3.5733661753721757`*^9}, 3.573367679154417*^9, {3.5746744522844534`*^9, 3.574674453220455*^9}, 3.5746820022776895`*^9, {3.574682057033786*^9, 3.574682057704587*^9}, {3.574682089045042*^9, 3.574682170757985*^9}, 3.57468220769885*^9, {3.5746826561216383`*^9, 3.5746827960226836`*^9}, { 3.5747437628680496`*^9, 3.5747437640692515`*^9}, 3.5747437976249104`*^9, { 3.574743832756172*^9, 3.5747439364027543`*^9}, {3.57474397413922*^9, 3.5747439758396235`*^9}}], Cell[BoxData[ RowBox[{"u", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"us", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "n"}], "}"}]}], "]"}]}]], "Input", CellChangeTimes->{{3.5679472243083935`*^9, 3.567947394894693*^9}, { 3.567947453425996*^9, 3.567947471241227*^9}, {3.5679475415037503`*^9, 3.5679475448733563`*^9}, {3.5679488138107853`*^9, 3.567948820877598*^9}, { 3.568820296244224*^9, 3.5688203477867146`*^9}}], Cell[BoxData[ RowBox[{"cn", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"u", "[", RowBox[{"[", "i", "]"}], "]"}], "\[Equal]", "\"\\""}], ",", "6.0", ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"u", "[", RowBox[{"[", "i", "]"}], "]"}], "\[Equal]", "\"\\""}], ",", "1.0", ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"u", "[", RowBox[{"[", "i", "]"}], "]"}], "\[Equal]", "\"\\""}], ",", "7.0", ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"u", "[", RowBox[{"[", "i", "]"}], "]"}], "\[Equal]", "\"\\""}], ",", "8.0", ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"u", "[", RowBox[{"[", "i", "]"}], "]"}], "\[Equal]", "\"\\""}], ",", "7.0"}], "]"}]}], "]"}]}], "]"}]}], "]"}]}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "n"}], "}"}]}], "]"}]}]], "Input", CellChangeTimes->{{3.5688224161787477`*^9, 3.5688224173799496`*^9}, { 3.5688224905908785`*^9, 3.568822500434496*^9}, 3.5692358293003073`*^9, 3.5692358676919746`*^9, {3.569344570581538*^9, 3.5693446110324097`*^9}, 3.5733593979404716`*^9}], Cell[BoxData[{ RowBox[{ RowBox[{"bc", "=", "0"}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"For", "[", RowBox[{ RowBox[{"i", "=", "1"}], ",", " ", RowBox[{"i", "<", RowBox[{"n", "+", "1"}]}], ",", RowBox[{"i", "++"}], ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"u", "[", RowBox[{"[", "i", "]"}], "]"}], "\[NotEqual]", "\"\\""}], ",", " ", RowBox[{"bc", "=", RowBox[{"bc", "+", "1"}]}]}], "]"}]}], "]"}], ";"}], "\[IndentingNewLine]", "bc", "\[IndentingNewLine]", RowBox[{"bh", "=", RowBox[{"n", "-", "bc"}]}]}], "Input", CellChangeTimes->{{3.5688281182607965`*^9, 3.5688281434392405`*^9}, { 3.5691376772313223`*^9, 3.569137733516221*^9}, {3.569234042049968*^9, 3.569234051519184*^9}, 3.5692372799312553`*^9}], Cell[BoxData[ RowBox[{ RowBox[{"ChemicalData", "\[NoBreak]", "[", RowBox[{"\"\\"", ",", "\"\\""}], "]"}], "\[IndentingNewLine]"}]], "Input", CellChangeTimes->{{3.5708566311295495`*^9, 3.5708566338907547`*^9}, 3.5709425310382767`*^9, 3.5730457925169635`*^9, 3.57466137224955*^9, 3.5747016121197433`*^9}], Cell[BoxData[{ RowBox[{ RowBox[{"DeleteFile", "[", " ", "\"\\"", "]"}], ";"}], "\[IndentingNewLine]", RowBox[{"For", "[", RowBox[{ RowBox[{"i", "=", "1"}], ",", RowBox[{"i", "<", RowBox[{"n", "+", "1"}]}], ",", RowBox[{"i", "++"}], ",", "\[IndentingNewLine]", RowBox[{ RowBox[{"{", RowBox[{ RowBox[{"u", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"Extract", "[", RowBox[{"t1", ",", RowBox[{"{", "i", "}"}]}], "]"}]}], "}"}], ">>>", " ", "\"\\""}]}], "]"}]}], "Input", CellChangeTimes->{{3.567869377256353*^9, 3.5678694101568108`*^9}, { 3.5678695244894114`*^9, 3.56786953511303*^9}, 3.56786988243204*^9, 3.5678699252853155`*^9, {3.567870069179968*^9, 3.5678700766835814`*^9}, { 3.5678703216664114`*^9, 3.567870325738019*^9}, 3.5679271251072817`*^9, { 3.567942840466694*^9, 3.567942854381918*^9}, {3.567942932272855*^9, 3.567942950509287*^9}, 3.5679430681802936`*^9, {3.568278272060727*^9, 3.56827827391713*^9}, 3.5688732159559383`*^9, 3.568910867631465*^9, 3.5689997098549547`*^9, 3.5689998170427427`*^9, 3.5689998869620657`*^9, { 3.569059200815255*^9, 3.5690592031552596`*^9}, 3.5691460426137285`*^9, 3.569237204520723*^9, 3.569237465836782*^9, 3.56923802264856*^9, 3.5693403424181123`*^9, 3.569340450198702*^9, 3.569340738019207*^9, 3.569340852851009*^9, {3.5693411655067577`*^9, 3.5693411655067577`*^9}, 3.5693414976001415`*^9, {3.5693416978420925`*^9, 3.569341705314506*^9}, 3.569342614421703*^9, 3.5693435671777763`*^9, 3.569343662727944*^9, 3.5693437636289215`*^9, 3.5693440709750605`*^9, 3.5693442662562037`*^9, { 3.5702975520309644`*^9, 3.570297552764166*^9}, {3.5705591717487917`*^9, 3.5705591791432047`*^9}}], Cell[BoxData[{ RowBox[{ RowBox[{"t", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"t1", "[", RowBox[{"[", RowBox[{"num", "[", RowBox[{"[", "i", "]"}], "]"}], "]"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "n"}], "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"Plot1o", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"Graphics3D", "[", RowBox[{"{", RowBox[{ RowBox[{"Opacity", "[", "0.8", "]"}], ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"u", "[", RowBox[{"[", "i", "]"}], "]"}], "\[Equal]", "\"\\""}], ",", RowBox[{"Lighter", "[", "Blue", "]"}], ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"u", "[", RowBox[{"[", "i", "]"}], "]"}], "\[Equal]", "\"\\""}], ",", RowBox[{"Lighter", "[", "White", "]"}], ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"u", "[", RowBox[{"[", "i", "]"}], "]"}], "\[Equal]", "\"\\""}], ",", RowBox[{"Lighter", "[", "Red", "]"}], ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"u", "[", RowBox[{"[", "i", "]"}], "]"}], "\[Equal]", "\"\\""}], ",", RowBox[{"Lighter", "[", "Green", "]"}], ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"u", "[", RowBox[{"[", "i", "]"}], "]"}], "\[Equal]", "\"\\""}], ",", RowBox[{"Lighter", "[", "Orange", "]"}], ",", RowBox[{"Darker", "[", "Brown", "]"}]}], "]"}]}], "]"}]}], "]"}]}], "]"}]}], "]"}], ",", RowBox[{"Sphere", "[", RowBox[{ RowBox[{"{", RowBox[{ RowBox[{"t", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], ",", RowBox[{"t", "[", RowBox[{"[", RowBox[{"i", ",", "2"}], "]"}], "]"}], ",", RowBox[{"t", "[", RowBox[{"[", RowBox[{"i", ",", "3"}], "]"}], "]"}]}], "}"}], ",", RowBox[{"u1", "[", RowBox[{"[", "i", "]"}], "]"}]}], "]"}]}], "}"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "n"}], "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{ RowBox[{"Plot2", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"Graphics3D", "[", RowBox[{"Text", "[", RowBox[{"i", ",", RowBox[{"{", RowBox[{ RowBox[{ RowBox[{"t", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "-", "0.6"}], ",", RowBox[{"t", "[", RowBox[{"[", RowBox[{"i", ",", "2"}], "]"}], "]"}], ",", RowBox[{"t", "[", RowBox[{"[", RowBox[{"i", ",", "3"}], "]"}], "]"}]}], "}"}], " ", ",", RowBox[{"{", RowBox[{"1", ",", "0"}], "}"}]}], "]"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "n"}], "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{"(*", RowBox[{"Show", "[", RowBox[{"Plot1o", ",", "Plot2", ",", RowBox[{"{", RowBox[{ RowBox[{"AspectRatio", "\[Rule]", "Automatic"}], ",", RowBox[{"Boxed", "\[Rule]", "True"}], ",", " ", RowBox[{"Axes", "\[Rule]", "Automatic"}], ",", RowBox[{"AxesLabel", "\[Rule]", RowBox[{"{", RowBox[{"xl", ",", "yl", ",", "zl"}], "}"}]}], ",", RowBox[{"SphericalRegion", "\[Rule]", "True"}]}], "}"}]}], "]"}], "*)"}]}], "\[IndentingNewLine]", RowBox[{"ChemicalData", "\[NoBreak]", "[", RowBox[{"\"\\"", ",", "\"\\""}], "]"}]}], "Input", CellChangeTimes->{{3.567869377256353*^9, 3.567869394073182*^9}, { 3.5678694248832364`*^9, 3.5678694526200852`*^9}, {3.5678694891241493`*^9, 3.5678694955045605`*^9}, {3.567869596046737*^9, 3.567869602645549*^9}, 3.56786971175214*^9, {3.5678697908910794`*^9, 3.567869798800293*^9}, { 3.5679434548425727`*^9, 3.5679434621121855`*^9}, 3.568011875875622*^9, 3.56811435956207*^9, {3.5682782821071444`*^9, 3.5682782839479475`*^9}, { 3.5688205455482616`*^9, 3.5688206262784038`*^9}, 3.5688208026055136`*^9, 3.5688732159559383`*^9, 3.568910867631465*^9, {3.5689830694736805`*^9, 3.568983072687286*^9}, {3.5725833074418383`*^9, 3.5725833223398647`*^9}, { 3.572583642982828*^9, 3.572583671421678*^9}, {3.572584036290719*^9, 3.5725840766323895`*^9}, {3.572584986320788*^9, 3.572585000719613*^9}, { 3.572585104865396*^9, 3.5725851158790154`*^9}, 3.5726667135591345`*^9, { 3.5727958552609696`*^9, 3.5727958810478153`*^9}, {3.5727959717619743`*^9, 3.5727959736963778`*^9}, {3.572796004615632*^9, 3.572796064270137*^9}, 3.5733691180073442`*^9, {3.5747381333641615`*^9, 3.5747381348149643`*^9}}], Cell["(* Distance Matrix Bohr *)", "Text", CellChangeTimes->{{3.5678630319943895`*^9, 3.5678630956269007`*^9}, { 3.5678632280087337`*^9, 3.567863228336334*^9}, {3.5678632621727934`*^9, 3.5678633509213495`*^9}, {3.5678644293824434`*^9, 3.567864451908883*^9}, { 3.567864923404111*^9, 3.56786494544695*^9}, {3.5678650143210707`*^9, 3.5678650845367947`*^9}, {3.567869231084096*^9, 3.5678692412397137`*^9}, 3.5678693168686466`*^9, {3.5678704450470285`*^9, 3.5678704621290584`*^9}, 3.5682783281584253`*^9, 3.5688732159715385`*^9, 3.568910867647065*^9, 3.5689997098549547`*^9, 3.5689998170427427`*^9, 3.5689998869620657`*^9, 3.5691460426137285`*^9, 3.569237204536323*^9, 3.5692374658523817`*^9, 3.56923802264856*^9, 3.5693403424181123`*^9, 3.5693404502143016`*^9, 3.569340738019207*^9, 3.569340852851009*^9, 3.5693411655067577`*^9, 3.5693414978029413`*^9, 3.5693426144373026`*^9, 3.5693435671777763`*^9, 3.569343662743544*^9, 3.569343763644521*^9, 3.569344071177861*^9, 3.569344266271804*^9, 3.570297558707776*^9, {3.5703416079688015`*^9, 3.570341617375618*^9}, {3.5705956885798426`*^9, 3.5705957106070814`*^9}, { 3.5705965150536942`*^9, 3.5705965239457097`*^9}, {3.5720162655168724`*^9, 3.5720163727202606`*^9}, {3.5720166425383344`*^9, 3.572016643427536*^9}, { 3.5723503054303513`*^9, 3.572350361964851*^9}, 3.573368567997178*^9, { 3.5746565325286493`*^9, 3.574656552839885*^9}}], Cell[BoxData[{ RowBox[{ RowBox[{"dc", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"Norm", "[", RowBox[{ RowBox[{"t", "[", RowBox[{"[", "i", "]"}], "]"}], "-", RowBox[{"t", "[", RowBox[{"[", "j", "]"}], "]"}]}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "n"}], "}"}], ",", RowBox[{"{", RowBox[{"j", ",", "1", ",", "n"}], "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"(*", RowBox[{"MatrixForm", "[", RowBox[{"Prepend", "[", RowBox[{"dc", ",", "num1"}], "]"}], "]"}], "*)"}]}]}], "Input", CellChangeTimes->{{3.5678630319943895`*^9, 3.5678630956269007`*^9}, { 3.5678632280087337`*^9, 3.567863228336334*^9}, {3.5678632621727934`*^9, 3.5678633509213495`*^9}, {3.5678644293824434`*^9, 3.567864451908883*^9}, { 3.567864923404111*^9, 3.56786494544695*^9}, {3.5678650143210707`*^9, 3.5678650845367947`*^9}, {3.567869231084096*^9, 3.5678692412397137`*^9}, 3.5678693168686466`*^9, {3.5678704450470285`*^9, 3.5678704621290584`*^9}, 3.5682783281584253`*^9, 3.5688732159715385`*^9, 3.568910867647065*^9, 3.5689997098549547`*^9, 3.5689998170427427`*^9, 3.5689998869620657`*^9, 3.5691460426137285`*^9, 3.569237204536323*^9, 3.5692374658523817`*^9, 3.56923802264856*^9, 3.5693403424181123`*^9, 3.5693404502143016`*^9, 3.569340738019207*^9, 3.569340852851009*^9, 3.5693411655067577`*^9, 3.5693414978029413`*^9, 3.5693426144373026`*^9, 3.5693435671777763`*^9, 3.569343662743544*^9, 3.569343763644521*^9, 3.569344071177861*^9, 3.569344266271804*^9, 3.570297558707776*^9, {3.5703416079688015`*^9, 3.570341617375618*^9}, {3.5705956885798426`*^9, 3.5705957106070814`*^9}, { 3.5705965150536942`*^9, 3.5705965239457097`*^9}, {3.5720162655168724`*^9, 3.5720163727202606`*^9}, {3.5720166425383344`*^9, 3.572016643427536*^9}, { 3.5723503054303513`*^9, 3.572350361964851*^9}, 3.573368567997178*^9, 3.5746565325286493`*^9}], Cell[BoxData[{ RowBox[{ RowBox[{"x", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"t", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "n"}], "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"y", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"t", "[", RowBox[{"[", RowBox[{"i", ",", "2"}], "]"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "n"}], "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"z", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"t", "[", RowBox[{"[", RowBox[{"i", ",", "3"}], "]"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "n"}], "}"}]}], "]"}]}], ";"}]}], "Input", CellChangeTimes->{{3.5678630319943895`*^9, 3.5678630956269007`*^9}, { 3.5678632280087337`*^9, 3.567863228336334*^9}, {3.5678632621727934`*^9, 3.5678633509213495`*^9}, {3.5678644293824434`*^9, 3.567864451908883*^9}, { 3.567864923404111*^9, 3.56786494544695*^9}, {3.5678650143210707`*^9, 3.5678650845367947`*^9}, {3.567869231084096*^9, 3.567869278118179*^9}, { 3.5682778102931156`*^9, 3.5682778156907253`*^9}, 3.571808490989086*^9, { 3.572601938592864*^9, 3.572601945722077*^9}}], Cell[BoxData[ RowBox[{ RowBox[{"(*", " ", RowBox[{"connected", " ", RowBox[{"pairs", ":", " ", RowBox[{ RowBox[{"distance", " ", "criteria"}], " ", "<", " ", RowBox[{"3.0", " ", "bohr"}]}]}]}], " ", "*)"}], "\[IndentingNewLine]", RowBox[{ RowBox[{ RowBox[{"Dij", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"If", "[", RowBox[{ RowBox[{"(", RowBox[{ RowBox[{ RowBox[{"dc", "[", RowBox[{"[", RowBox[{"i", ",", "j"}], "]"}], "]"}], "<", "3.0"}], "||", RowBox[{"(", RowBox[{ RowBox[{ RowBox[{"u", "[", RowBox[{"[", "i", "]"}], "]"}], "\[Equal]", "\"\\""}], " ", "&&", " ", RowBox[{ RowBox[{"dc", "[", RowBox[{"[", RowBox[{"i", ",", "j"}], "]"}], "]"}], "<", "3.24"}]}], ")"}]}], ")"}], ",", RowBox[{"dc", "[", RowBox[{"[", RowBox[{"i", ",", "j"}], "]"}], "]"}], ",", "0"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "n"}], "}"}], ",", RowBox[{"{", RowBox[{"j", ",", "1", ",", "n"}], "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{"MatrixForm", "[", RowBox[{"Prepend", "[", RowBox[{"Dij", ",", "num1"}], "]"}], "]"}]}]}]], "Input", CellChangeTimes->{{3.567863535157673*^9, 3.5678635412104836`*^9}, { 3.5678638182825704`*^9, 3.567863827283786*^9}, {3.5679503910983553`*^9, 3.5679504266352177`*^9}, {3.5679504653700857`*^9, 3.5679505048069553`*^9}, 3.567950534915008*^9, {3.567951107623214*^9, 3.567951136046464*^9}, 3.567951302545556*^9, {3.5679562986474605`*^9, 3.567956305355472*^9}, { 3.5679563590975666`*^9, 3.567956370688387*^9}, {3.567956414930065*^9, 3.567956430467692*^9}, {3.567956484740187*^9, 3.567956500667815*^9}, { 3.5679565456270943`*^9, 3.5679565868267665`*^9}, {3.5679569267045636`*^9, 3.5679569448941956`*^9}, {3.567956976562251*^9, 3.567957000711094*^9}, { 3.5679570348595533`*^9, 3.5679570632672033`*^9}, {3.5679573263928657`*^9, 3.5679573286548696`*^9}, {3.5679573611029263`*^9, 3.5679573637393312`*^9}, {3.5679592820903006`*^9, 3.567959317127962*^9}, { 3.567959397655304*^9, 3.5679594004945087`*^9}, {3.5679594704762316`*^9, 3.5679594724574347`*^9}, {3.567959655898157*^9, 3.567959673073787*^9}, 3.5681143121223865`*^9, 3.568121866388855*^9, 3.568220668221574*^9, { 3.568220718968463*^9, 3.568220723742071*^9}, {3.568220862051914*^9, 3.5682208641111183`*^9}, {3.568220906761593*^9, 3.5682209083527956`*^9}, { 3.5682209451844606`*^9, 3.5682209651680956`*^9}, {3.568221147782016*^9, 3.5682211695908546`*^9}, {3.568221237279373*^9, 3.568221253612602*^9}, { 3.568221305420293*^9, 3.568221306247094*^9}, {3.5682215161142635`*^9, 3.568221546206716*^9}, 3.56822158247678*^9, {3.568277819185131*^9, 3.5682778284359474`*^9}, 3.56882183684053*^9, {3.5688219650415554`*^9, 3.568821965915157*^9}, {3.5688769979329815`*^9, 3.5688771619984694`*^9}, { 3.568877204212144*^9, 3.5688772091729527`*^9}, {3.568877282493081*^9, 3.5688772843338842`*^9}, {3.568877374112042*^9, 3.568877378074449*^9}, { 3.56887744125456*^9, 3.5688774664954042`*^9}, {3.56887758366721*^9, 3.568877604867647*^9}, {3.568877667220957*^9, 3.5688776710429635`*^9}, { 3.5688778111156096`*^9, 3.56887782262843*^9}, {3.569341165522358*^9, 3.569341165522358*^9}, 3.5693418217375107`*^9, {3.5693429625675144`*^9, 3.5693429673099227`*^9}, {3.569390288837522*^9, 3.5693903143123665`*^9}, { 3.569390381798085*^9, 3.5693904158685455`*^9}, {3.5693905284539433`*^9, 3.569390564349606*^9}, {3.569390610868888*^9, 3.569390611056088*^9}, { 3.569390743671921*^9, 3.569390761487152*^9}, {3.569390843761697*^9, 3.569390861608128*^9}, {3.5693909829451413`*^9, 3.5693909887171516`*^9}, 3.5703416480920715`*^9, {3.5703416810237293`*^9, 3.5703416997437625`*^9}, 3.570341888192094*^9, {3.5705964879252462`*^9, 3.570596509843285*^9}, { 3.5705965495921545`*^9, 3.5705966388087115`*^9}, 3.570968886604662*^9, { 3.5709689930904493`*^9, 3.5709689944320517`*^9}, {3.5709690501397495`*^9, 3.570969050904151*^9}, {3.5709692134876366`*^9, 3.5709692140804377`*^9}, { 3.5709722325921392`*^9, 3.5709722334033403`*^9}, {3.5709723694355793`*^9, 3.570972545481889*^9}, {3.570972790558319*^9, 3.5709728063299465`*^9}, { 3.570972844066413*^9, 3.570972866764453*^9}, {3.5709729633598228`*^9, 3.57097298434186*^9}, {3.5709731454589424`*^9, 3.5709731466289444`*^9}, 3.570973453029083*^9, {3.5709736099653587`*^9, 3.570973638404208*^9}, { 3.571113899355363*^9, 3.571113958604267*^9}, 3.57111399989754*^9, { 3.5711140388820086`*^9, 3.571114044841219*^9}, {3.571115985874628*^9, 3.5711159997742524`*^9}, {3.57313788224113*^9, 3.5731379093851776`*^9}, 3.573137959679666*^9}], Cell[BoxData[""], "Input", CellChangeTimes->{{3.5711447475554733`*^9, 3.5711448173314643`*^9}, { 3.5711448756027975`*^9, 3.57114492740276*^9}, {3.5711449591545763`*^9, 3.5711450128426466`*^9}, 3.571145059034289*^9, {3.571145091643154*^9, 3.5711451544367456`*^9}, {3.5711457670857873`*^9, 3.571145777413378*^9}, { 3.571145816908637*^9, 3.5711458203728347`*^9}, {3.571145995427848*^9, 3.571146043099574*^9}, {3.571146121580063*^9, 3.571146129714528*^9}, { 3.5711468466695356`*^9, 3.571146852041843*^9}, {3.5711478420384674`*^9, 3.571147850085928*^9}, {3.57114788911016*^9, 3.571147906822173*^9}, 3.571148086181432*^9, {3.571148123252552*^9, 3.5711481317480383`*^9}, { 3.571148234499915*^9, 3.57114834630731*^9}, 3.571151990091008*^9, { 3.5712017864539623`*^9, 3.5712018128960094`*^9}, {3.5712024819499846`*^9, 3.5712024821527843`*^9}, {3.571202538780884*^9, 3.5712025389368844`*^9}, { 3.5712028115629635`*^9, 3.5712028346354036`*^9}, {3.5746569418109684`*^9, 3.574656960905402*^9}}], Cell[BoxData[{ RowBox[{"For", "[", RowBox[{ RowBox[{"i", "=", "1"}], " ", ",", RowBox[{"i", "<", RowBox[{"n", "+", "1"}]}], ",", RowBox[{"i", "++"}], ",", "\[IndentingNewLine]", RowBox[{"For", "[", RowBox[{ RowBox[{"j", "=", "1"}], ",", " ", RowBox[{"j", "<", RowBox[{"bc", "+", "1"}]}], ",", RowBox[{"j", "++"}], ",", "\[IndentingNewLine]", RowBox[{"If", "[", RowBox[{ RowBox[{"(", RowBox[{ RowBox[{ RowBox[{"Dij", "[", RowBox[{"[", RowBox[{"i", ",", "j"}], "]"}], "]"}], "\[NotEqual]", "0"}], " ", "&&", " ", RowBox[{ RowBox[{"u", "[", RowBox[{"[", "i", "]"}], "]"}], "\[Equal]", " ", "\"\\""}]}], ")"}], ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"u", "[", RowBox[{"[", "j", "]"}], "]"}], "\[Equal]", "\"\\""}], ",", RowBox[{ RowBox[{"u2", "[", RowBox[{"[", "i", "]"}], "]"}], "=", "0.59"}], ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"u", "[", RowBox[{"[", "j", "]"}], "]"}], "\[Equal]", "\"\\""}], ",", RowBox[{ RowBox[{"u2", "[", RowBox[{"[", "i", "]"}], "]"}], "=", "0.5"}], ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"u", "[", RowBox[{"[", "j", "]"}], "]"}], "\[Equal]", "\"\\""}], ",", RowBox[{ RowBox[{"u2", "[", RowBox[{"[", "i", "]"}], "]"}], "=", "0.5541"}], ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"u", "[", RowBox[{"[", "j", "]"}], "]"}], "\[Equal]", "\"\\""}], ",", RowBox[{ RowBox[{"u2", "[", RowBox[{"[", "i", "]"}], "]"}], "=", "0.5241"}]}], "]"}]}], "]"}]}], "]"}]}], "]"}]}], "]"}]}], "]"}]}], "]"}], "\[IndentingNewLine]", "u2"}], "Input", CellChangeTimes->{{3.5688800293771057`*^9, 3.5688801774057655`*^9}, { 3.5688802290574565`*^9, 3.568880330208034*^9}, {3.5688803807053227`*^9, 3.5688804136525807`*^9}, 3.568880491434317*^9, 3.5688805648948464`*^9, { 3.5688806280437574`*^9, 3.568880655234605*^9}, {3.568880712424306*^9, 3.568880716324312*^9}, {3.5688808087544746`*^9, 3.568880827786508*^9}, 3.5688808733385878`*^9, {3.568881358936241*^9, 3.5688813959239063`*^9}, { 3.568881446561595*^9, 3.5688815849182377`*^9}, {3.5688816223739033`*^9, 3.568881642607139*^9}, 3.568881728953291*^9, {3.568881797624612*^9, 3.568881809870633*^9}, 3.568881863612727*^9, {3.568883098916497*^9, 3.5688831014749017`*^9}, {3.56888372124679*^9, 3.568883843239004*^9}, 3.568888211750622*^9, {3.5688882521546926`*^9, 3.5688885232519693`*^9}, { 3.5688885890840845`*^9, 3.5688885895052853`*^9}, {3.568888675773437*^9, 3.5688886914514647`*^9}, {3.568888736285943*^9, 3.5688887717760057`*^9}, { 3.5688888256429005`*^9, 3.5688888541441507`*^9}, {3.568892442649892*^9, 3.5688924499507046`*^9}, {3.568892758441247*^9, 3.5688927597360487`*^9}, { 3.5688928234309607`*^9, 3.5688928379389863`*^9}, {3.5708938149488974`*^9, 3.5708938463361526`*^9}, {3.570893920483083*^9, 3.5708939282050962`*^9}, { 3.570894700000852*^9, 3.57089481264865*^9}, {3.570973331551669*^9, 3.570973355887712*^9}, {3.5709734060886*^9, 3.5709734077266035`*^9}, 3.5709737061863275`*^9, {3.5712013634748197`*^9, 3.5712013661736245`*^9}, { 3.571201966837079*^9, 3.5712020689392586`*^9}, {3.5733681085139713`*^9, 3.573368111025576*^9}, {3.5733681833629026`*^9, 3.573368184579705*^9}, { 3.573368233454591*^9, 3.573368234047392*^9}}], Cell[BoxData[ RowBox[{ RowBox[{"(*", " ", RowBox[{ "subtract", " ", "core", " ", "radii", " ", "from", " ", "pair", " ", "distances"}], " ", "*)"}], "\[IndentingNewLine]", RowBox[{ RowBox[{ RowBox[{"Fij", "=", RowBox[{"Dij", "-", "u2"}]}], ";"}], "\[IndentingNewLine]", RowBox[{"(*", RowBox[{ RowBox[{"MatrixForm", "[", "Fij", "]"}], ";"}], "*)"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"Gij", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"If", "[", RowBox[{ RowBox[{"i", "\[GreaterEqual]", "j"}], ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"Fij", "[", RowBox[{"[", RowBox[{"i", ",", "j"}], "]"}], "]"}], ">", "0"}], ",", RowBox[{"Fij", "[", RowBox[{"[", RowBox[{"i", ",", "j"}], "]"}], "]"}], ",", "0"}], "]"}], ",", "\"\< \>\""}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "n"}], "}"}], ",", RowBox[{"{", RowBox[{"j", ",", "1", ",", "n"}], "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{"(*", RowBox[{ RowBox[{"MatrixForm", "[", "Gij", "]"}], ";"}], "*)"}]}]}]], "Input", CellChangeTimes->{{3.567958596890297*^9, 3.567958603270708*^9}, { 3.5679587604565845`*^9, 3.5679587707682023`*^9}, {3.5679588272871017`*^9, 3.567958828254304*^9}, {3.567959580066424*^9, 3.5679595814704266`*^9}, { 3.567959624994503*^9, 3.5679596300177116`*^9}, {3.5679597079086485`*^9, 3.567959902877791*^9}, {3.5679599961659546`*^9, 3.5679600446196404`*^9}, { 3.5679609611992497`*^9, 3.567960974006872*^9}, 3.567961975154231*^9, { 3.5679622637079377`*^9, 3.5679622945179915`*^9}, 3.5681142413606625`*^9, 3.568121878697276*^9, {3.5681219332193723`*^9, 3.56812197189184*^9}, { 3.5682778370003624`*^9, 3.5682778397927675`*^9}, {3.569341165522358*^9, 3.569341165537958*^9}, {3.5693418217531104`*^9, 3.5693418217531104`*^9}, { 3.57059671735485*^9, 3.570596744467697*^9}}], Cell[BoxData[{ RowBox[{ RowBox[{"Hij", "=", RowBox[{"Transpose", "[", "Gij", "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"(*", RowBox[{ RowBox[{"MatrixForm", "[", "Hij", "]"}], ";"}], "*)"}]}]}], "Input", CellChangeTimes->{{3.5679601758938704`*^9, 3.5679601965327067`*^9}, { 3.567960427147912*^9, 3.567960432217921*^9}, {3.5679605764089737`*^9, 3.5679605968294096`*^9}, {3.5679607389456596`*^9, 3.5679607643581038`*^9}, 3.5681142501278777`*^9, 3.5681218877140923`*^9, 3.569341165537958*^9, 3.5693418217531104`*^9}], Cell[BoxData[{ RowBox[{ RowBox[{ RowBox[{"Kij", "=", RowBox[{"Hij", "-", "u2"}]}], ";"}], "\[IndentingNewLine]", RowBox[{"(*", RowBox[{ RowBox[{"MatrixForm", "[", "Kij", "]"}], ";"}], "*)"}]}], "\[IndentingNewLine]", RowBox[{ RowBox[{"Lij", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"If", "[", RowBox[{ RowBox[{"i", "\[LessEqual]", "j"}], ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"Kij", "[", RowBox[{"[", RowBox[{"i", ",", "j"}], "]"}], "]"}], ">", "0"}], ",", RowBox[{"Kij", "[", RowBox[{"[", RowBox[{"i", ",", "j"}], "]"}], "]"}], ",", "0"}], "]"}], ",", "\"\< \>\""}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "n"}], "}"}], ",", RowBox[{"{", RowBox[{"j", ",", "1", ",", "n"}], "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"(*", RowBox[{ RowBox[{"MatrixForm", "[", "Lij", "]"}], ";"}], "*)"}]}]}], "Input", CellChangeTimes->{{3.5679602339571724`*^9, 3.567960257419614*^9}, { 3.567960343406965*^9, 3.567960353500182*^9}, {3.5679604155258913`*^9, 3.567960421422702*^9}, {3.567960854323462*^9, 3.567960874197897*^9}, { 3.5679611596939983`*^9, 3.567961170270817*^9}, {3.5679614000124207`*^9, 3.567961407016833*^9}, {3.5679615066074076`*^9, 3.567961509649413*^9}, 3.5679616124379935`*^9, 3.5679616766477065`*^9, {3.5679617424486217`*^9, 3.5679617456310277`*^9}, 3.567961801276325*^9, {3.5679618582788253`*^9, 3.5679618970760937`*^9}, {3.5679620279135237`*^9, 3.567962030113127*^9}, 3.567962107894864*^9, {3.567962149468937*^9, 3.5679621572533503`*^9}, 3.5679623389156694`*^9, {3.567962645815009*^9, 3.567962648888214*^9}, { 3.567962691647889*^9, 3.567962693020692*^9}, {3.568048161486014*^9, 3.568048162827616*^9}, 3.5680482096900983`*^9, 3.5681142588638926`*^9, 3.568121899632513*^9, 3.5681219958534822`*^9, {3.568277844675576*^9, 3.5682778463603787`*^9}, {3.569341165537958*^9, 3.569341165537958*^9}, { 3.5693418217531104`*^9, 3.5693418217531104`*^9}}], Cell[BoxData[ RowBox[{ RowBox[{"(*", " ", RowBox[{"determine", " ", "bond", " ", "cloud", " ", "radii"}], " ", "*)"}], "\[IndentingNewLine]", RowBox[{ RowBox[{ RowBox[{"Lij", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"If", "[", RowBox[{ RowBox[{"i", "\[LessEqual]", "j"}], ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"Lij", "[", RowBox[{"[", RowBox[{"i", ",", "j"}], "]"}], "]"}], ">", "0"}], ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"u", "[", RowBox[{"[", "j", "]"}], "]"}], "\[NotEqual]", "\"\\""}], ",", RowBox[{"0.5", "*", RowBox[{"Lij", "[", RowBox[{"[", RowBox[{"i", ",", "j"}], "]"}], "]"}]}], ",", RowBox[{"Lij", "[", RowBox[{"[", RowBox[{"i", ",", "j"}], "]"}], "]"}]}], "]"}], ",", "0"}], "]"}], ",", "\"\< \>\""}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "n"}], "}"}], ",", RowBox[{"{", RowBox[{"j", ",", "1", ",", "n"}], "}"}]}], "]"}]}], ";"}], " ", "\[IndentingNewLine]", RowBox[{ RowBox[{"Qij", "=", "Lij"}], ";"}], "\[IndentingNewLine]", RowBox[{"(*", RowBox[{ RowBox[{"MatrixForm", "[", "Lij", "]"}], ";"}], "*)"}]}]}]], "Input", CellChangeTimes->{{3.5679627617388124`*^9, 3.567962837461345*^9}, { 3.567963118121438*^9, 3.567963118698639*^9}, {3.5679631520670977`*^9, 3.5679631541731014`*^9}, {3.5679631898191643`*^9, 3.5679632154656096`*^9}, {3.5679635823158536`*^9, 3.56796361468591*^9}, { 3.567963691516045*^9, 3.567963693590849*^9}, {3.567963737957327*^9, 3.567963807299449*^9}, {3.568048114904332*^9, 3.5680481161835346`*^9}, 3.5680482221389203`*^9, {3.5680485003498087`*^9, 3.5680485123618298`*^9}, 3.5681142659931054`*^9, 3.5681219084621286`*^9, {3.568277848107582*^9, 3.5682778496519847`*^9}, {3.5683793122399254`*^9, 3.568379313019926*^9}, { 3.568379456758579*^9, 3.56837947986222*^9}, 3.5683796000760307`*^9, { 3.5683796473285136`*^9, 3.5683796831617765`*^9}, {3.568381744939398*^9, 3.5683817743298492`*^9}, {3.56846523720809*^9, 3.568465240218895*^9}, 3.569341165537958*^9, 3.5693418217531104`*^9, {3.5705967846533675`*^9, 3.5705968020785985`*^9}}], Cell[BoxData[ RowBox[{ RowBox[{"(*", " ", RowBox[{"determine", " ", "kinetic", " ", "energy"}], " ", "*)"}], "\[IndentingNewLine]", RowBox[{ RowBox[{ RowBox[{"Nij", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"If", "[", RowBox[{ RowBox[{"i", "\[LessEqual]", "j"}], ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"Lij", "[", RowBox[{"[", RowBox[{"i", ",", "j"}], "]"}], "]"}], ">", "0"}], ",", RowBox[{"2.25", "/", RowBox[{ RowBox[{"Lij", "[", RowBox[{"[", RowBox[{"i", ",", "j"}], "]"}], "]"}], "^", "2"}]}], ",", "0"}], "]"}], ",", "\"\< \>\""}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "n"}], "}"}], ",", RowBox[{"{", RowBox[{"j", ",", "1", ",", "n"}], "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{"(*", RowBox[{"MatrixForm", "[", "Nij", "]"}], "*)"}], "\n", RowBox[{"Tval", "=", RowBox[{"Sum", "[", RowBox[{ RowBox[{"If", "[", RowBox[{ RowBox[{"i", "\[LessEqual]", "j"}], ",", RowBox[{"Nij", "[", RowBox[{"[", RowBox[{"i", ",", "j"}], "]"}], "]"}], ",", "0"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "n"}], "}"}], ",", RowBox[{"{", RowBox[{"j", ",", "1", ",", "n"}], "}"}]}], "]"}]}], "\n", RowBox[{"Tcor", "=", RowBox[{"Sum", "[", RowBox[{ RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"u", "[", RowBox[{"[", "i", "]"}], "]"}], "\[NotEqual]", "\"\\""}], ",", RowBox[{"2.25", "/", RowBox[{ RowBox[{"u2", "[", RowBox[{"[", "i", "]"}], "]"}], "^", "2"}]}], ",", "0"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "n"}], "}"}]}], "]"}]}], "\n", RowBox[{"Ttot", "=", RowBox[{"Tval", "+", "Tcor"}]}], " ", RowBox[{"(*", " ", RowBox[{"plus", " ", "\[Pi]", " ", "and", " ", "lone", " ", RowBox[{"pairs", ":", " ", RowBox[{"+", " ", "8.7616"}]}]}], " ", "*)"}], "\n", RowBox[{"TvalH", "=", RowBox[{"Sum", "[", RowBox[{ RowBox[{"If", "[", RowBox[{ RowBox[{"(", RowBox[{ RowBox[{"i", "\[LessEqual]", "j"}], " ", "&&", " ", RowBox[{ RowBox[{"u", "[", RowBox[{"[", "j", "]"}], "]"}], "\[Equal]", " ", "\"\\""}]}], ")"}], ",", RowBox[{"Nij", "[", RowBox[{"[", RowBox[{"i", ",", "j"}], "]"}], "]"}], ",", "0"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "n"}], "}"}], ",", RowBox[{"{", RowBox[{"j", ",", "1", ",", "n"}], "}"}]}], "]"}]}], "\n", RowBox[{"TvalC", "=", RowBox[{"Tval", "-", "TvalH"}]}]}]}]], "Input", CellChangeTimes->{{3.5679628944794455`*^9, 3.5679629710755796`*^9}, { 3.567963889963994*^9, 3.567963933800071*^9}, {3.5680478391738477`*^9, 3.5680478414358516`*^9}, 3.568048231171336*^9, {3.5680482823550262`*^9, 3.56804828449223*^9}, 3.5680483349271183`*^9, 3.568114273059918*^9, 3.5681219175101447`*^9, {3.568277851305588*^9, 3.568277857295998*^9}, { 3.5688722635742655`*^9, 3.568872266616271*^9}, 3.5688723032763357`*^9, 3.5688725225503206`*^9, 3.5692365125035076`*^9, {3.5692366381461277`*^9, 3.5692366389105296`*^9}, {3.5692366963654304`*^9, 3.5692366986898346`*^9}, 3.5693411655535583`*^9, 3.5693418217687106`*^9, {3.5705968460394754`*^9, 3.5705968602823005`*^9}, 3.574657067547189*^9}], Cell[BoxData[{ RowBox[{ RowBox[{"Mij", "=", RowBox[{"Prepend", "[", RowBox[{"Qij", ",", "u"}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"Oij", "=", RowBox[{"Transpose", "[", "Mij", "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"Pij", "=", RowBox[{"Prepend", "[", RowBox[{"Oij", ",", RowBox[{"Prepend", "[", RowBox[{"u", ",", "\"\< \>\""}], "]"}]}], "]"}]}], ";"}]}], "Input", CellChangeTimes->{{3.568045828002715*^9, 3.56804588761042*^9}, 3.5680459828797874`*^9, {3.568046033938677*^9, 3.5680460518787084`*^9}, { 3.568046989190755*^9, 3.5680470284404235`*^9}, {3.568047061028881*^9, 3.568047085567724*^9}, {3.5680471562982483`*^9, 3.568047169199471*^9}, { 3.568047223393966*^9, 3.568047364059413*^9}, {3.568047417286707*^9, 3.5680474225127163`*^9}, {3.5680474583459787`*^9, 3.568047487861231*^9}, { 3.5680475345521126`*^9, 3.5680475468605347`*^9}, {3.5680479168775845`*^9, 3.5680479311516094`*^9}, {3.568048066918648*^9, 3.568048067667449*^9}, { 3.5680483816336*^9, 3.5680483930216208`*^9}, {3.568048424159275*^9, 3.568048450211321*^9}, {3.5680486326224413`*^9, 3.5680486370996494`*^9}, { 3.5680487358166227`*^9, 3.5680487967191296`*^9}, 3.568048834377596*^9, 3.568048984418659*^9, {3.5680490255559316`*^9, 3.5680490790796256`*^9}, { 3.5680491274553103`*^9, 3.5680491280949116`*^9}, {3.5680491782333994`*^9, 3.568049231944294*^9}, {3.568049361533722*^9, 3.5680493691933355`*^9}, { 3.568049422171028*^9, 3.568049427490638*^9}, {3.568049476427923*^9, 3.5680495489368505`*^9}, {3.568049620634577*^9, 3.5680496274361887`*^9}, { 3.5680496655314555`*^9, 3.568049693876705*^9}, 3.568049746573598*^9, { 3.568049846460573*^9, 3.568049932759925*^9}, {3.568050009059659*^9, 3.5680500167348723`*^9}, {3.5680501572755194`*^9, 3.568050179911159*^9}, 3.5681087021497335`*^9, {3.5726244549749556`*^9, 3.5726244687341795`*^9}, 3.572624583643982*^9, {3.574656664645282*^9, 3.5746566773749037`*^9}, { 3.574656980265036*^9, 3.5746569955686626`*^9}}], Cell[BoxData[{ RowBox[{ RowBox[{"Eij", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"If", "[", RowBox[{ RowBox[{"i", "\[GreaterEqual]", "j"}], ",", RowBox[{"Dij", "[", RowBox[{"[", RowBox[{"i", ",", "j"}], "]"}], "]"}], ",", "0"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", RowBox[{"bc", "-", "1"}]}], "}"}], ",", RowBox[{"{", RowBox[{"j", ",", "1", ",", RowBox[{"bc", "-", "1"}]}], "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{"CD", "=", RowBox[{"Select", "[", RowBox[{ RowBox[{"Flatten", "[", "Eij", "]"}], ",", RowBox[{ RowBox[{"(", RowBox[{ RowBox[{"#", "\[GreaterEqual]", "2.4"}], " ", "&&", RowBox[{"#", "\[LessEqual]", "2.6"}]}], ")"}], " ", "&"}]}], "]"}]}], "\[IndentingNewLine]", RowBox[{ RowBox[{"Mean", "[", "CD", "]"}], " ", "\[PlusMinus]", " ", RowBox[{"StandardDeviation", "[", "CD", "]"}]}], "\n", RowBox[{"CC", "=", RowBox[{"Select", "[", RowBox[{ RowBox[{"Flatten", "[", "Eij", "]"}], ",", RowBox[{ RowBox[{"(", RowBox[{"#", "\[GreaterEqual]", "2.6"}], ")"}], " ", "&"}]}], "]"}]}], "\n", RowBox[{ RowBox[{ RowBox[{"Mean", "[", "CC", "]"}], " ", "\[PlusMinus]", " ", RowBox[{"StandardDeviation", "[", "CC", "]"}]}], " "}], "\n", RowBox[{ RowBox[{"Eij", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"If", "[", RowBox[{ RowBox[{"i", "\[GreaterEqual]", "j"}], ",", RowBox[{"Dij", "[", RowBox[{"[", RowBox[{"i", ",", "j"}], "]"}], "]"}], ",", "0"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", RowBox[{"bc", "+", "1"}], ",", "n"}], "}"}], ",", RowBox[{"{", RowBox[{"j", ",", "1", ",", RowBox[{"bc", "-", "1"}]}], "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{"CH", "=", RowBox[{"Select", "[", RowBox[{ RowBox[{"Flatten", "[", "Eij", "]"}], ",", RowBox[{ RowBox[{"(", RowBox[{ RowBox[{"#", ">", "0"}], " ", "&&", RowBox[{"#", "\[LessEqual]", "2.1"}]}], ")"}], " ", "&"}]}], "]"}]}], "\[IndentingNewLine]", RowBox[{ RowBox[{"Mean", "[", "CH", "]"}], " ", "\[PlusMinus]", " ", RowBox[{"StandardDeviation", "[", "CH", "]"}]}]}], "Input", CellChangeTimes->{{3.568045828002715*^9, 3.56804588761042*^9}, 3.5680459828797874`*^9, {3.568046033938677*^9, 3.5680460518787084`*^9}, { 3.568046989190755*^9, 3.5680470284404235`*^9}, {3.568047061028881*^9, 3.568047085567724*^9}, {3.5680471562982483`*^9, 3.568047169199471*^9}, { 3.568047223393966*^9, 3.568047364059413*^9}, {3.568047417286707*^9, 3.5680474225127163`*^9}, {3.5680474583459787`*^9, 3.568047487861231*^9}, { 3.5680475345521126`*^9, 3.5680475468605347`*^9}, {3.5680479168775845`*^9, 3.5680479311516094`*^9}, {3.568048066918648*^9, 3.568048067667449*^9}, { 3.5680483816336*^9, 3.5680483930216208`*^9}, {3.568048424159275*^9, 3.568048450211321*^9}, {3.5680486326224413`*^9, 3.5680486370996494`*^9}, { 3.5680487358166227`*^9, 3.5680487967191296`*^9}, 3.568048834377596*^9, 3.568048984418659*^9, {3.5680490255559316`*^9, 3.5680490790796256`*^9}, { 3.5680491274553103`*^9, 3.5680491280949116`*^9}, {3.5680491782333994`*^9, 3.568049231944294*^9}, {3.568049361533722*^9, 3.5680493691933355`*^9}, { 3.568049422171028*^9, 3.568049427490638*^9}, {3.568049476427923*^9, 3.5680495489368505`*^9}, {3.568049620634577*^9, 3.5680496274361887`*^9}, { 3.5680496655314555`*^9, 3.568049693876705*^9}, 3.568049746573598*^9, { 3.568049846460573*^9, 3.568049932759925*^9}, {3.568050009059659*^9, 3.5680500167348723`*^9}, {3.5680501572755194`*^9, 3.568050179911159*^9}, 3.5681087021497335`*^9, {3.5726244549749556`*^9, 3.5726244687341795`*^9}, 3.572624583643982*^9, {3.574656664645282*^9, 3.5746566773749037`*^9}, { 3.574656980265036*^9, 3.5746569955686626`*^9}}], Cell[BoxData[ RowBox[{ RowBox[{"(*", " ", RowBox[{"count", " ", "C", " ", "atoms"}], " ", "*)"}], "\[IndentingNewLine]", RowBox[{ RowBox[{ RowBox[{"nc", "=", "0"}], ";"}], " ", "\n", RowBox[{"For", "[", RowBox[{ RowBox[{"i", "=", "1"}], ",", RowBox[{"i", "<", RowBox[{"bc", "+", "1"}]}], ",", RowBox[{"i", "++"}], ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"u", "[", RowBox[{"[", "i", "]"}], "]"}], "\[Equal]", "\"\\""}], ",", RowBox[{"nc", "=", RowBox[{"nc", "+", "1"}]}], ",", "nc"}], "]"}]}], "]"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"cnt", "=", RowBox[{"Table", "[", RowBox[{"0", ",", RowBox[{"{", "nc", "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"pri", "=", "cnt"}], ";", " ", RowBox[{"sec", "=", "cnt"}], ";", RowBox[{"ter", "=", "cnt"}], ";", " ", RowBox[{"qua", "=", "cnt"}], ";"}], "\[IndentingNewLine]", "nc"}]}]], "Input", CellChangeTimes->{{3.568045828002715*^9, 3.56804588761042*^9}, 3.5680459828797874`*^9, {3.568046033938677*^9, 3.5680460518787084`*^9}, { 3.568046989190755*^9, 3.5680470284404235`*^9}, {3.568047061028881*^9, 3.568047085567724*^9}, {3.5680471562982483`*^9, 3.568047169199471*^9}, { 3.568047223393966*^9, 3.568047364059413*^9}, {3.568047417286707*^9, 3.5680474225127163`*^9}, {3.5680474583459787`*^9, 3.568047487861231*^9}, { 3.5680475345521126`*^9, 3.5680475468605347`*^9}, {3.5680479168775845`*^9, 3.5680479311516094`*^9}, {3.568048066918648*^9, 3.568048067667449*^9}, { 3.5680483816336*^9, 3.5680483930216208`*^9}, {3.568048424159275*^9, 3.568048450211321*^9}, {3.5680486326224413`*^9, 3.5680486370996494`*^9}, { 3.5680487358166227`*^9, 3.5680487967191296`*^9}, 3.568048834377596*^9, 3.568048984418659*^9, {3.5680490255559316`*^9, 3.5680490790796256`*^9}, { 3.5680491274553103`*^9, 3.5680491280949116`*^9}, {3.5680491782333994`*^9, 3.568049231944294*^9}, {3.568049361533722*^9, 3.5680493691933355`*^9}, { 3.568049422171028*^9, 3.568049427490638*^9}, {3.568049476427923*^9, 3.5680495489368505`*^9}, {3.568049620634577*^9, 3.5680496274361887`*^9}, { 3.5680496655314555`*^9, 3.568049693876705*^9}, 3.568049746573598*^9, { 3.568049846460573*^9, 3.568049932759925*^9}, {3.568050009059659*^9, 3.5680500167348723`*^9}, {3.5680501572755194`*^9, 3.568050179911159*^9}, 3.5681087021497335`*^9, {3.5726244549749556`*^9, 3.5726244687341795`*^9}, 3.572624583643982*^9, {3.574656664645282*^9, 3.5746566836773148`*^9}, { 3.5746567220533824`*^9, 3.5746567296193953`*^9}}], Cell[BoxData[ RowBox[{ RowBox[{"(*", " ", RowBox[{"count", " ", "O", " ", "atoms"}], " ", "*)"}], "\[IndentingNewLine]", RowBox[{ RowBox[{ RowBox[{"no", "=", "0"}], ";"}], " ", "\n", RowBox[{"For", "[", RowBox[{ RowBox[{"i", "=", "1"}], ",", RowBox[{"i", "<", RowBox[{"bc", "+", "1"}]}], ",", RowBox[{"i", "++"}], ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"u", "[", RowBox[{"[", "i", "]"}], "]"}], "\[Equal]", "\"\\""}], ",", RowBox[{"no", "=", RowBox[{"no", "+", "1"}]}], ",", "no"}], "]"}]}], "]"}], "\[IndentingNewLine]", "no"}]}]], "Input", CellChangeTimes->{{3.5747778571769943`*^9, 3.5747779085322847`*^9}}], Cell[BoxData[ RowBox[{ RowBox[{"(*", " ", RowBox[{ "count", " ", "H", " ", "atoms", " ", "bonded", " ", "to", " ", "each", " ", "C", " ", "atom"}], " ", "*)"}], "\[IndentingNewLine]", RowBox[{ RowBox[{ RowBox[{"For", "[", RowBox[{ RowBox[{"j", "=", "1"}], ",", RowBox[{"j", "\[LessEqual]", "nc"}], ",", RowBox[{"j", "++"}], ",", "\[IndentingNewLine]", RowBox[{"For", "[", RowBox[{ RowBox[{"i", "=", RowBox[{"bc", "+", "1"}]}], ",", RowBox[{"i", "\[LessEqual]", "n"}], ",", RowBox[{"i", "++"}], ",", RowBox[{"If", "[", " ", RowBox[{ RowBox[{ RowBox[{"Dij", "[", RowBox[{"[", RowBox[{"i", ",", "j"}], "]"}], "]"}], "\[NotEqual]", "0"}], " ", ",", RowBox[{ RowBox[{"cnt", "[", RowBox[{"[", "j", "]"}], "]"}], "=", RowBox[{ RowBox[{"cnt", "[", RowBox[{"[", "j", "]"}], "]"}], "+", "1"}]}], ",", "0"}], "]"}]}], "]"}]}], "]"}], ";"}], "\[IndentingNewLine]", "cnt"}]}]], "Input", CellChangeTimes->{{3.568045828002715*^9, 3.56804588761042*^9}, 3.5680459828797874`*^9, {3.568046033938677*^9, 3.5680460518787084`*^9}, { 3.568046989190755*^9, 3.5680470284404235`*^9}, {3.568047061028881*^9, 3.568047085567724*^9}, {3.5680471562982483`*^9, 3.568047169199471*^9}, { 3.568047223393966*^9, 3.568047364059413*^9}, {3.568047417286707*^9, 3.5680474225127163`*^9}, {3.5680474583459787`*^9, 3.568047487861231*^9}, { 3.5680475345521126`*^9, 3.5680475468605347`*^9}, {3.5680479168775845`*^9, 3.5680479311516094`*^9}, {3.568048066918648*^9, 3.568048067667449*^9}, { 3.5680483816336*^9, 3.5680483930216208`*^9}, {3.568048424159275*^9, 3.568048450211321*^9}, {3.5680486326224413`*^9, 3.5680486370996494`*^9}, { 3.5680487358166227`*^9, 3.5680487967191296`*^9}, 3.568048834377596*^9, 3.568048984418659*^9, {3.5680490255559316`*^9, 3.5680490790796256`*^9}, { 3.5680491274553103`*^9, 3.5680491280949116`*^9}, {3.5680491782333994`*^9, 3.568049231944294*^9}, {3.568049361533722*^9, 3.5680493691933355`*^9}, { 3.568049422171028*^9, 3.568049427490638*^9}, {3.568049476427923*^9, 3.5680495489368505`*^9}, {3.568049620634577*^9, 3.5680496274361887`*^9}, { 3.5680496655314555`*^9, 3.568049693876705*^9}, 3.568049746573598*^9, { 3.568049846460573*^9, 3.568049932759925*^9}, {3.568050009059659*^9, 3.5680500167348723`*^9}, {3.5680501572755194`*^9, 3.568050179911159*^9}, 3.5681087021497335`*^9, {3.5726244549749556`*^9, 3.5726244687341795`*^9}, 3.572624583643982*^9, {3.574656664645282*^9, 3.5746566836773148`*^9}, { 3.5746567220533824`*^9, 3.5746567296193953`*^9}}], Cell[BoxData[ RowBox[{ RowBox[{"(*", " ", RowBox[{ RowBox[{"parse", " ", "into", " ", "prim"}], ",", " ", "sec", ",", " ", "tert", ",", " ", RowBox[{ "and", " ", "quart", " ", "C", " ", "cores", " ", "with", " ", "different", " ", "radii"}]}], " ", "*)"}], "\[IndentingNewLine]", RowBox[{ RowBox[{ RowBox[{"n1", "=", "0"}], ";", " ", RowBox[{"n2", "=", "0"}], ";", " ", RowBox[{"n3", "=", "0"}], ";", " ", RowBox[{"n4", "=", "0"}], ";"}], "\n", RowBox[{ RowBox[{"For", "[", RowBox[{ RowBox[{"i", "=", "1"}], ",", RowBox[{"i", "\[LessEqual]", "nc"}], ",", RowBox[{"i", "++"}], ",", "\[IndentingNewLine]", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"cnt", "[", RowBox[{"[", "i", "]"}], "]"}], "\[Equal]", "3"}], ",", RowBox[{ RowBox[{"n1", "=", RowBox[{"n1", "+", "1"}]}], ";", RowBox[{ RowBox[{"pri", "[", RowBox[{"[", "n1", "]"}], "]"}], "=", "i"}]}], ",", "\[IndentingNewLine]", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"cnt", "[", RowBox[{"[", "i", "]"}], "]"}], "\[Equal]", "2"}], ",", RowBox[{ RowBox[{"n2", "=", RowBox[{"n2", "+", "1"}]}], ";", RowBox[{ RowBox[{"sec", "[", RowBox[{"[", "n2", "]"}], "]"}], "=", "i"}]}], ",", "\[IndentingNewLine]", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"cnt", "[", RowBox[{"[", "i", "]"}], "]"}], "\[Equal]", "1"}], ",", RowBox[{ RowBox[{"n3", "=", RowBox[{"n3", "+", "1"}]}], ";", RowBox[{ RowBox[{"ter", "[", RowBox[{"[", "n3", "]"}], "]"}], "=", "i"}]}], ",", "\[IndentingNewLine]", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"cnt", "[", RowBox[{"[", "i", "]"}], "]"}], "=", "0"}], ",", RowBox[{ RowBox[{"n4", "=", RowBox[{"n4", "+", "1"}]}], ";", RowBox[{ RowBox[{"qua", "[", RowBox[{"[", "n4", "]"}], "]"}], "=", "i"}]}]}], "]"}]}], "]"}]}], "]"}]}], "]"}]}], "]"}], ";"}], "\[IndentingNewLine]", RowBox[{"For", " ", "[", RowBox[{ RowBox[{"i", "=", "1"}], ",", " ", RowBox[{"i", "\[LessEqual]", "nc"}], ",", RowBox[{"i", "++"}], ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"pri", "[", RowBox[{"[", "i", "]"}], "]"}], "\[NotEqual]", "0"}], ",", RowBox[{ RowBox[{"u2", "[", RowBox[{"[", RowBox[{"pri", "[", RowBox[{"[", "i", "]"}], "]"}], "]"}], "]"}], "=", "0.259"}]}], "]"}]}], "]"}], "\[IndentingNewLine]", RowBox[{"For", " ", "[", RowBox[{ RowBox[{"i", "=", "1"}], ",", " ", RowBox[{"i", "\[LessEqual]", "nc"}], ",", RowBox[{"i", "++"}], ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"sec", "[", RowBox[{"[", "i", "]"}], "]"}], "\[NotEqual]", "0"}], ",", RowBox[{ RowBox[{"u2", "[", RowBox[{"[", RowBox[{"sec", "[", RowBox[{"[", "i", "]"}], "]"}], "]"}], "]"}], "=", "0.258"}]}], "]"}]}], "]"}], "\[IndentingNewLine]", RowBox[{"For", " ", "[", RowBox[{ RowBox[{"i", "=", "1"}], ",", " ", RowBox[{"i", "\[LessEqual]", "nc"}], ",", RowBox[{"i", "++"}], ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"ter", "[", RowBox[{"[", "i", "]"}], "]"}], "\[NotEqual]", "0"}], ",", RowBox[{ RowBox[{"u2", "[", RowBox[{"[", RowBox[{"ter", "[", RowBox[{"[", "i", "]"}], "]"}], "]"}], "]"}], "=", "0.2595"}]}], "]"}]}], "]"}], "\[IndentingNewLine]", RowBox[{"For", " ", "[", RowBox[{ RowBox[{"i", "=", "1"}], ",", " ", RowBox[{"i", "\[LessEqual]", "nc"}], ",", RowBox[{"i", "++"}], ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"qua", "[", RowBox[{"[", "i", "]"}], "]"}], "\[NotEqual]", "0"}], ",", RowBox[{ RowBox[{"u2", "[", RowBox[{"[", RowBox[{"qua", "[", RowBox[{"[", "i", "]"}], "]"}], "]"}], "]"}], "=", "0.2595"}]}], "]"}]}], "]"}]}]}]], "Input", CellChangeTimes->{ 3.574656734486604*^9, 3.5746567701950665`*^9, 3.574656840972391*^9, { 3.574674470271285*^9, 3.574674475481694*^9}, {3.574674526181783*^9, 3.574674528927388*^9}, {3.5746746901536713`*^9, 3.5746746947712793`*^9}}], Cell[BoxData[{ RowBox[{ RowBox[{"con", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"{", "i", "}"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "n"}], "}"}]}], "]"}]}], ";", " ", RowBox[{"conj", "=", RowBox[{"Table", "[", RowBox[{"0", ",", RowBox[{"{", "nc", "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"For", "[", RowBox[{ RowBox[{"i", "=", "1"}], ",", RowBox[{"i", "\[LessEqual]", "n"}], ",", RowBox[{"i", "++"}], ",", "\[IndentingNewLine]", RowBox[{"For", "[", RowBox[{ RowBox[{"j", "=", "1"}], ",", RowBox[{"j", "\[LessEqual]", "n"}], ",", RowBox[{"j", "++"}], ",", RowBox[{"If", "[", " ", RowBox[{ RowBox[{ RowBox[{"Dij", "[", RowBox[{"[", RowBox[{"i", ",", "j"}], "]"}], "]"}], "\[NotEqual]", "0"}], " ", ",", RowBox[{ RowBox[{"con", "[", RowBox[{"[", "i", "]"}], "]"}], "=", RowBox[{"{", RowBox[{ RowBox[{"con", "[", RowBox[{"[", "i", "]"}], "]"}], ",", "j"}], "}"}]}]}], "]"}]}], "]"}]}], "]"}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{ RowBox[{"conn", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"Flatten", "[", RowBox[{"con", "[", RowBox[{"[", "i", "]"}], "]"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "n"}], "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{"(*", RowBox[{ RowBox[{ RowBox[{"conn", "[", RowBox[{"[", "10", "]"}], "]"}], "=", RowBox[{"{", RowBox[{"10", ",", "7", ",", "11", ",", "17"}], "}"}]}], ";"}], "*)"}], "\[IndentingNewLine]", RowBox[{"(*", " ", RowBox[{ "identify", " ", "C", " ", "atoms", " ", "at", " ", "double", " ", "bonds"}], " ", "*)"}]}], "\[IndentingNewLine]", RowBox[{ RowBox[{"j", "=", "0"}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"For", "[", RowBox[{ RowBox[{"i", "=", "1"}], ",", RowBox[{"i", "\[LessEqual]", "nc"}], ",", RowBox[{"i", "++"}], ",", RowBox[{"If", "[", RowBox[{ RowBox[{"(", RowBox[{ RowBox[{ RowBox[{"Length", "[", RowBox[{"conn", "[", RowBox[{"[", "i", "]"}], "]"}], "]"}], "\[Equal]", "4"}], " ", "&&", " ", RowBox[{ RowBox[{"u", "[", RowBox[{"[", RowBox[{"conn", "[", RowBox[{"[", RowBox[{"i", ",", "4"}], "]"}], "]"}], "]"}], "]"}], "\[NotEqual]", "\"\\""}]}], ")"}], ",", RowBox[{ RowBox[{"j", "=", RowBox[{"j", "+", "1"}]}], ";", RowBox[{ RowBox[{"conj", "[", RowBox[{"[", "j", "]"}], "]"}], "=", "i"}]}]}], "]"}]}], "]"}], ";"}], "\[IndentingNewLine]", RowBox[{"conj", "=", RowBox[{"Take", "[", RowBox[{"conj", ",", RowBox[{"{", RowBox[{"1", ",", "j"}], "}"}]}], "]"}]}], "\[IndentingNewLine]", RowBox[{"nj", "=", RowBox[{"Length", "[", "conj", "]"}]}], "\[IndentingNewLine]", RowBox[{"MatrixForm", "[", RowBox[{"conn", ",", " ", RowBox[{"TableAlignments", "\[Rule]", "Left"}]}], "]"}]}], "Input", CellChangeTimes->{{3.568045828002715*^9, 3.56804588761042*^9}, 3.5680459828797874`*^9, {3.568046033938677*^9, 3.5680460518787084`*^9}, { 3.568046989190755*^9, 3.5680470284404235`*^9}, {3.568047061028881*^9, 3.568047085567724*^9}, {3.5680471562982483`*^9, 3.568047169199471*^9}, { 3.568047223393966*^9, 3.568047364059413*^9}, {3.568047417286707*^9, 3.5680474225127163`*^9}, {3.5680474583459787`*^9, 3.568047487861231*^9}, { 3.5680475345521126`*^9, 3.5680475468605347`*^9}, {3.5680479168775845`*^9, 3.5680479311516094`*^9}, {3.568048066918648*^9, 3.568048067667449*^9}, { 3.5680483816336*^9, 3.5680483930216208`*^9}, {3.568048424159275*^9, 3.568048450211321*^9}, {3.5680486326224413`*^9, 3.5680486370996494`*^9}, { 3.5680487358166227`*^9, 3.5680487967191296`*^9}, 3.568048834377596*^9, 3.568048984418659*^9, {3.5680490255559316`*^9, 3.5680490790796256`*^9}, { 3.5680491274553103`*^9, 3.5680491280949116`*^9}, {3.5680491782333994`*^9, 3.568049231944294*^9}, {3.568049361533722*^9, 3.5680493691933355`*^9}, { 3.568049422171028*^9, 3.568049427490638*^9}, {3.568049476427923*^9, 3.5680495489368505`*^9}, {3.568049620634577*^9, 3.5680496274361887`*^9}, { 3.5680496655314555`*^9, 3.568049693876705*^9}, 3.568049746573598*^9, { 3.568049846460573*^9, 3.568049932759925*^9}, {3.568050009059659*^9, 3.5680500167348723`*^9}, {3.5680501572755194`*^9, 3.568050179911159*^9}, 3.5681087021497335`*^9, {3.5726244549749556`*^9, 3.5726244687341795`*^9}, { 3.572624511540655*^9, 3.5726245129758577`*^9}, {3.5726259545431895`*^9, 3.5726259555883913`*^9}, {3.5726268385811424`*^9, 3.5726268436979513`*^9}, {3.5727156260686264`*^9, 3.5727156464110622`*^9}, 3.572767008717453*^9, 3.572767169428935*^9, {3.5727947272385855`*^9, 3.5727947348669987`*^9}, {3.5733216830258026`*^9, 3.573321731307887*^9}, 3.5746648213532076`*^9, 3.5747423225955195`*^9, {3.5747806605331182`*^9, 3.5747807483924723`*^9}, {3.5747809586028414`*^9, 3.57478099722851*^9}}], Cell[BoxData[ RowBox[{"\[IndentingNewLine]", RowBox[{ RowBox[{ RowBox[{"j", "=", "0"}], ";", " ", RowBox[{"h", "=", "0"}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"coco", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"{", RowBox[{"0", ",", "0", ",", "0", ",", "0"}], "}"}], ",", RowBox[{"{", "no", "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"coch", "=", "coco"}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"For", "[", RowBox[{ RowBox[{"i", "=", RowBox[{"nc", "+", "1"}]}], ",", " ", RowBox[{"i", "\[LessEqual]", RowBox[{"nc", "+", "no"}]}], ",", " ", RowBox[{"i", "++"}], ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"Length", "[", RowBox[{"conn", "[", RowBox[{"[", "i", "]"}], "]"}], "]"}], "\[Equal]", "2"}], ",", RowBox[{ RowBox[{"j", "=", RowBox[{"j", "+", "1"}]}], ";", RowBox[{ RowBox[{"coco", "[", RowBox[{"[", "j", "]"}], "]"}], "=", RowBox[{"Join", "[", RowBox[{ RowBox[{"{", RowBox[{"conn", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "}"}], ",", RowBox[{"Take", "[", RowBox[{ RowBox[{"conn", "[", RowBox[{"[", RowBox[{"conn", "[", RowBox[{"[", RowBox[{"i", ",", "2"}], "]"}], "]"}], "]"}], "]"}], ",", "3"}], "]"}]}], "]"}]}]}], ",", RowBox[{ RowBox[{"h", "=", RowBox[{"h", "+", "1"}]}], ";", RowBox[{ RowBox[{"coch", "[", RowBox[{"[", "h", "]"}], "]"}], "=", RowBox[{"conn", "[", RowBox[{"[", "i", "]"}], "]"}]}]}]}], "]"}]}], "]"}], ";"}], "\[IndentingNewLine]", RowBox[{"coco", "=", RowBox[{"Take", "[", RowBox[{"coco", ",", RowBox[{"{", RowBox[{"1", ",", "j"}], "}"}]}], "]"}]}], "\[IndentingNewLine]", RowBox[{"coch", "=", RowBox[{"Take", "[", RowBox[{"coch", ",", RowBox[{"{", RowBox[{"1", ",", "h"}], "}"}]}], "]"}]}], "\[IndentingNewLine]", RowBox[{ RowBox[{"oj", "=", RowBox[{"Length", "[", "coco", "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"hj", "=", RowBox[{"Length", "[", "coch", "]"}]}], ";"}]}]}]], "Input", CellChangeTimes->{{3.568108824079547*^9, 3.568109012824279*^9}, { 3.568109558076436*^9, 3.568109588168889*^9}, {3.5681097523435774`*^9, 3.5681097637783976`*^9}, {3.5681100381828794`*^9, 3.5681101616726966`*^9}, {3.5681102015307665`*^9, 3.5681102288464146`*^9}, {3.568110263743676*^9, 3.568110267331682*^9}, { 3.5681103163469687`*^9, 3.5681103268925867`*^9}, {3.5681106443375444`*^9, 3.5681106916368275`*^9}, 3.568110873002746*^9, {3.5681109388660617`*^9, 3.5681110268970165`*^9}, {3.568111092526332*^9, 3.568111123461186*^9}, { 3.5681111884196997`*^9, 3.568111192756508*^9}, {3.5681112268113675`*^9, 3.568111366213212*^9}, {3.568111434946933*^9, 3.568111463354583*^9}, { 3.568111544396725*^9, 3.568111547625931*^9}, {3.5681116856081734`*^9, 3.5681117131422215`*^9}, {3.568111864696488*^9, 3.5681119835998964`*^9}, 3.5681120218355637`*^9, {3.56811206543764*^9, 3.568112066389242*^9}, { 3.568112332369709*^9, 3.5681123404505234`*^9}, {3.568112505935614*^9, 3.56811251481203*^9}, {3.5681125623609133`*^9, 3.568112569006525*^9}, { 3.568112648067464*^9, 3.568112734210815*^9}, {3.568112764443668*^9, 3.5681127697320776`*^9}, {3.5681128018681335`*^9, 3.568112843426607*^9}, { 3.568112884641879*^9, 3.5681128887602863`*^9}, {3.5681129663080225`*^9, 3.5681129699584293`*^9}, {3.568113133789917*^9, 3.568113227936082*^9}, { 3.5681132946885996`*^9, 3.5681133044698167`*^9}, {3.568113502200164*^9, 3.568113507348173*^9}, 3.56811354556824*^9, {3.5681222886191964`*^9, 3.5681222896019983`*^9}, {3.568207424138049*^9, 3.5682074415164795`*^9}, 3.568277923134914*^9, 3.568883508322016*^9, 3.568883588350157*^9, 3.5688836441982546`*^9, {3.5703421313965206`*^9, 3.5703421386505337`*^9}, { 3.570342288098796*^9, 3.5703424924279547`*^9}, 3.5709745658726373`*^9, 3.5709746291463485`*^9, {3.5709747534473667`*^9, 3.5709747617933817`*^9}, { 3.5709749537361183`*^9, 3.570975034747061*^9}, {3.5709751055243855`*^9, 3.5709751213584127`*^9}, {3.5709751694532976`*^9, 3.570975200060551*^9}, { 3.571073358435503*^9, 3.5710734289632273`*^9}, {3.571204792969243*^9, 3.571204820940092*^9}, {3.5712048565705547`*^9, 3.571204860002561*^9}, 3.571204896881026*^9, {3.571204943556308*^9, 3.571204987485985*^9}, 3.5712053579722357`*^9, 3.5712054148187356`*^9, 3.5712055260469313`*^9, { 3.571205631237916*^9, 3.5712056608311677`*^9}, {3.571206377683627*^9, 3.5712064172296963`*^9}, {3.571206525727887*^9, 3.571206547427525*^9}, { 3.5712066764397516`*^9, 3.5712067106974115`*^9}, {3.571206757949895*^9, 3.5712067585114956`*^9}, {3.5712073458681273`*^9, 3.571207357053347*^9}, { 3.5712075532392917`*^9, 3.5712076608170805`*^9}, {3.571208007434089*^9, 3.571208247690111*^9}, {3.571208301057805*^9, 3.5712083308850574`*^9}, { 3.571208811958702*^9, 3.571208871488407*^9}, {3.5712089993618317`*^9, 3.5712089996582317`*^9}, {3.5712091105588264`*^9, 3.571209160744115*^9}, { 3.5712092989135575`*^9, 3.5712093003643603`*^9}, {3.571209369940482*^9, 3.5712093926073227`*^9}, {3.5712094586578383`*^9, 3.5712094836958823`*^9}, {3.5712104228175316`*^9, 3.571210434267952*^9}, 3.571210475358424*^9, 3.5712108629099045`*^9, {3.571210903969177*^9, 3.5712109929361334`*^9}, {3.5712110295961976`*^9, 3.5712110392214146`*^9}, {3.571211240071767*^9, 3.5712112940946617`*^9}, { 3.571211404496056*^9, 3.5712114190976815`*^9}, {3.5712115264882703`*^9, 3.5712115363942876`*^9}, {3.571211575924757*^9, 3.5712116183724318`*^9}, { 3.5712116597281046`*^9, 3.571211695062166*^9}, {3.5712117551222715`*^9, 3.5712117807531166`*^9}, {3.571211826835598*^9, 3.5712118443232284`*^9}, { 3.571211962540236*^9, 3.5712119670174437`*^9}, 3.5712123580321307`*^9, { 3.5712123994658036`*^9, 3.571212411181424*^9}, {3.5712172605092583`*^9, 3.571217297153723*^9}, {3.571223622762637*^9, 3.57122364145147*^9}, { 3.5712237454256525`*^9, 3.571223750745262*^9}, {3.571223964808838*^9, 3.571224009097316*^9}, {3.57122674689975*^9, 3.5712267784742055`*^9}, { 3.5712269848157682`*^9, 3.57122698582977*^9}, {3.5712270624259043`*^9, 3.5712270629563055`*^9}, {3.571227212438168*^9, 3.571227212999769*^9}, { 3.571227409778515*^9, 3.5712274489969835`*^9}, {3.571227502177477*^9, 3.571227514127098*^9}, {3.57122758356282*^9, 3.5712276390521173`*^9}, 3.5712276745889797`*^9, {3.571227712746647*^9, 3.5712277584703274`*^9}, { 3.5712349496076813`*^9, 3.571234988008148*^9}, {3.5712351855668955`*^9, 3.5712353359043593`*^9}, {3.5712355859883986`*^9, 3.571235653661318*^9}, { 3.5712356890109797`*^9, 3.571235702208603*^9}, {3.5712449764989214`*^9, 3.5712449799309273`*^9}, {3.5712450401778336`*^9, 3.571245051456653*^9}, { 3.5712450868687153`*^9, 3.5712450934831266`*^9}, {3.571299135517318*^9, 3.571299166342972*^9}, {3.5713069890574045`*^9, 3.5713071726697273`*^9}, { 3.571307301791154*^9, 3.571307304536759*^9}, {3.571307397731323*^9, 3.571307405702937*^9}, {3.571311846659932*^9, 3.5713118507939396`*^9}, { 3.571317129094411*^9, 3.5713171472216425`*^9}, {3.5713172653138494`*^9, 3.5713172753602676`*^9}, {3.5713216932693615`*^9, 3.5713216983081703`*^9}, {3.5713370477995405`*^9, 3.5713370593279605`*^9}, {3.571404339740199*^9, 3.5714046172178864`*^9}, { 3.571404755449729*^9, 3.571404853246301*^9}, {3.571405069743481*^9, 3.571405208989326*^9}, {3.571405268612631*^9, 3.571405277442246*^9}, { 3.5714053796536255`*^9, 3.5714054114932814`*^9}, {3.571405595448805*^9, 3.5714056194884467`*^9}, {3.5714056687221336`*^9, 3.571405677660949*^9}, 3.5714067334520035`*^9, {3.57140676532286*^9, 3.5714067706580687`*^9}, { 3.571406950729185*^9, 3.571406989495253*^9}, {3.5714071848855963`*^9, 3.571407190579606*^9}, 3.5714072350240846`*^9, {3.571412503236558*^9, 3.5714125080413666`*^9}, {3.571412540879424*^9, 3.571412607787942*^9}, { 3.571412668378448*^9, 3.5714128101202965`*^9}, {3.5714128643147917`*^9, 3.571412873862009*^9}, {3.571412908150869*^9, 3.57141290869687*^9}, { 3.571413012374652*^9, 3.5714130213290677`*^9}, {3.571413054603926*^9, 3.5714130713583555`*^9}, 3.5714133323156137`*^9, {3.571730171730853*^9, 3.571730182494872*^9}, {3.5717303501171665`*^9, 3.5717303600855846`*^9}, { 3.5717305482375145`*^9, 3.5717305527147226`*^9}, {3.571760865342704*^9, 3.5717608700695124`*^9}, {3.57176111957635*^9, 3.5717611228835564`*^9}, 3.571761174316847*^9, {3.5717620076459103`*^9, 3.571762008441512*^9}, { 3.571765525077688*^9, 3.571765573718574*^9}, {3.572601603410675*^9, 3.572601639665139*^9}, {3.57260238631365*^9, 3.5726023989340725`*^9}, 3.5726046985809116`*^9, {3.5726052623971024`*^9, 3.572605269729115*^9}, { 3.572606450370389*^9, 3.5726064833176465`*^9}, {3.5726065169513054`*^9, 3.572606523955718*^9}, {3.5726066452459307`*^9, 3.572606662468361*^9}, { 3.5726068118542233`*^9, 3.5726068309330573`*^9}, {3.5726082044218693`*^9, 3.5726082108178806`*^9}, {3.5726129520308228`*^9, 3.5726129692220526`*^9}, {3.5726130228861475`*^9, 3.5726130532750006`*^9}, {3.572624083881504*^9, 3.572624093631521*^9}, { 3.5726247901883445`*^9, 3.572624801233164*^9}, {3.5726249931759005`*^9, 3.572625014937939*^9}, {3.572626882386019*^9, 3.5726268865668263`*^9}, { 3.5726673740642943`*^9, 3.572667386154316*^9}, {3.572707186162225*^9, 3.5727071892978306`*^9}, {3.5727073766385593`*^9, 3.5727073777617617`*^9}, 3.5727091442464643`*^9, 3.572709305488347*^9, {3.5727105300904984`*^9, 3.5727105312605004`*^9}, 3.5727107350904584`*^9, 3.5727108467086544`*^9, 3.572710916331577*^9, {3.5728420867264705`*^9, 3.5728421164913225`*^9}, { 3.572850453192765*^9, 3.5728504884332275`*^9}, {3.5731485879383316`*^9, 3.5731485959879456`*^9}, {3.5731825263710723`*^9, 3.573182535403488*^9}, { 3.5733139065045433`*^9, 3.5733140549856043`*^9}, 3.574655628725462*^9, 3.574657123722888*^9, {3.5746628507577467`*^9, 3.574662854080552*^9}, { 3.5747411461662536`*^9, 3.5747411501130605`*^9}, {3.5747732863761578`*^9, 3.5747733212266192`*^9}, {3.574777246966323*^9, 3.5747777516272087`*^9}, { 3.574778090990205*^9, 3.5747782123584185`*^9}, {3.5747782626217065`*^9, 3.5747782672393146`*^9}, {3.57477829882937*^9, 3.57477835005986*^9}, { 3.5747784095115643`*^9, 3.5747784447520266`*^9}, {3.5747785201625586`*^9, 3.574778535122985*^9}, {3.5747785781478605`*^9, 3.574778578319461*^9}, { 3.5747786106427174`*^9, 3.574778688830055*^9}, {3.5747787248193183`*^9, 3.5747787708393993`*^9}, 3.574778803895857*^9, {3.5747790916071625`*^9, 3.5747790975975733`*^9}, {3.574779153835672*^9, 3.574779165457692*^9}, { 3.5747792016185555`*^9, 3.574779212008174*^9}, {3.5747792458290334`*^9, 3.5747792599314585`*^9}, {3.5747792935339174`*^9, 3.574779301552331*^9}, { 3.574779474915436*^9, 3.574779529047531*^9}, {3.5747795770176153`*^9, 3.574779592914043*^9}, {3.5747796386065235`*^9, 3.574779641742129*^9}, { 3.574779726762278*^9, 3.57477972782308*^9}, 3.5747798402368774`*^9, { 3.5747800908513174`*^9, 3.5747801971811047`*^9}, {3.5747802368675737`*^9, 3.5747802741828394`*^9}, {3.574780331856141*^9, 3.574780343462561*^9}, { 3.574780380434626*^9, 3.5747803867058372`*^9}, {3.5747804240679026`*^9, 3.574780436781925*^9}, {3.574780765302902*^9, 3.574780854581859*^9}, { 3.574785122296955*^9, 3.574785156398615*^9}}], Cell[BoxData[{ RowBox[{ RowBox[{ RowBox[{"Clear", "[", RowBox[{ "c", ",", "v", ",", "p", ",", "Q", ",", "P", ",", "v1", ",", "v2", ",", "nk", ",", "nl", ",", "i"}], "]"}], ";"}], " "}], "\[IndentingNewLine]", RowBox[{ RowBox[{"rpo", "=", "1.4"}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{ RowBox[{"rpi", "=", "1.4"}], ";"}], "\[IndentingNewLine]", RowBox[{"(*", RowBox[{ RowBox[{"tplo", "=", RowBox[{"{", RowBox[{"0", ",", "0", ",", "0"}], "}"}]}], ";", "\[IndentingNewLine]", RowBox[{"tplu", "=", RowBox[{"{", RowBox[{"0", ",", "0", ",", "0"}], "}"}]}], ";"}], "*)"}]}], "\[IndentingNewLine]", RowBox[{ RowBox[{ RowBox[{"P", "=", "3"}], ";", " ", RowBox[{"c", "=", RowBox[{"{", RowBox[{"0", ",", "0", ",", "0", ",", "0", ",", "0"}], "}"}]}], ";"}], " "}]}], "Input", CellChangeTimes->{{3.568108824079547*^9, 3.568109012824279*^9}, { 3.568109558076436*^9, 3.568109588168889*^9}, {3.5681097523435774`*^9, 3.5681097637783976`*^9}, {3.5681100381828794`*^9, 3.5681101616726966`*^9}, {3.5681102015307665`*^9, 3.5681102288464146`*^9}, {3.568110263743676*^9, 3.568110267331682*^9}, { 3.5681103163469687`*^9, 3.5681103268925867`*^9}, {3.5681106443375444`*^9, 3.5681106916368275`*^9}, 3.568110873002746*^9, {3.5681109388660617`*^9, 3.5681110268970165`*^9}, {3.568111092526332*^9, 3.568111123461186*^9}, { 3.5681111884196997`*^9, 3.568111192756508*^9}, {3.5681112268113675`*^9, 3.568111366213212*^9}, {3.568111434946933*^9, 3.568111463354583*^9}, { 3.568111544396725*^9, 3.568111547625931*^9}, {3.5681116856081734`*^9, 3.5681117131422215`*^9}, {3.568111864696488*^9, 3.5681119835998964`*^9}, 3.5681120218355637`*^9, {3.56811206543764*^9, 3.568112066389242*^9}, { 3.568112332369709*^9, 3.5681123404505234`*^9}, {3.568112505935614*^9, 3.56811251481203*^9}, {3.5681125623609133`*^9, 3.568112569006525*^9}, { 3.568112648067464*^9, 3.568112734210815*^9}, {3.568112764443668*^9, 3.5681127697320776`*^9}, {3.5681128018681335`*^9, 3.568112843426607*^9}, { 3.568112884641879*^9, 3.5681128887602863`*^9}, {3.5681129663080225`*^9, 3.5681129699584293`*^9}, {3.568113133789917*^9, 3.568113227936082*^9}, { 3.5681132946885996`*^9, 3.5681133044698167`*^9}, {3.568113502200164*^9, 3.568113507348173*^9}, 3.56811354556824*^9, {3.5681222886191964`*^9, 3.5681222896019983`*^9}, {3.568207424138049*^9, 3.5682074415164795`*^9}, 3.568277923134914*^9, 3.568883508322016*^9, 3.568883588350157*^9, 3.5688836441982546`*^9, {3.5703421313965206`*^9, 3.5703421386505337`*^9}, { 3.570342288098796*^9, 3.5703424924279547`*^9}, 3.5709745658726373`*^9, 3.5709746291463485`*^9, {3.5709747534473667`*^9, 3.5709747617933817`*^9}, { 3.5709749537361183`*^9, 3.570975034747061*^9}, {3.5709751055243855`*^9, 3.5709751213584127`*^9}, {3.5709751694532976`*^9, 3.570975200060551*^9}, { 3.571073358435503*^9, 3.5710734289632273`*^9}, {3.571204792969243*^9, 3.571204820940092*^9}, {3.5712048565705547`*^9, 3.571204860002561*^9}, 3.571204896881026*^9, {3.571204943556308*^9, 3.571204987485985*^9}, 3.5712053579722357`*^9, 3.5712054148187356`*^9, 3.5712055260469313`*^9, { 3.571205631237916*^9, 3.5712056608311677`*^9}, {3.571206377683627*^9, 3.5712064172296963`*^9}, {3.571206525727887*^9, 3.571206547427525*^9}, { 3.5712066764397516`*^9, 3.5712067106974115`*^9}, {3.571206757949895*^9, 3.5712067585114956`*^9}, {3.5712073458681273`*^9, 3.571207357053347*^9}, { 3.5712075532392917`*^9, 3.5712076608170805`*^9}, {3.571208007434089*^9, 3.571208247690111*^9}, {3.571208301057805*^9, 3.5712083308850574`*^9}, { 3.571208811958702*^9, 3.571208871488407*^9}, {3.5712089993618317`*^9, 3.5712089996582317`*^9}, {3.5712091105588264`*^9, 3.571209160744115*^9}, { 3.5712092989135575`*^9, 3.5712093003643603`*^9}, {3.571209369940482*^9, 3.5712093926073227`*^9}, {3.5712094586578383`*^9, 3.5712094836958823`*^9}, {3.5712104228175316`*^9, 3.571210434267952*^9}, 3.571210475358424*^9, 3.5712108629099045`*^9, {3.571210903969177*^9, 3.5712109929361334`*^9}, {3.5712110295961976`*^9, 3.5712110392214146`*^9}, {3.571211240071767*^9, 3.5712112940946617`*^9}, { 3.571211404496056*^9, 3.5712114190976815`*^9}, {3.5712115264882703`*^9, 3.5712115363942876`*^9}, {3.571211575924757*^9, 3.5712116183724318`*^9}, { 3.5712116597281046`*^9, 3.571211695062166*^9}, {3.5712117551222715`*^9, 3.5712117807531166`*^9}, {3.571211826835598*^9, 3.5712118443232284`*^9}, { 3.571211962540236*^9, 3.5712119670174437`*^9}, 3.5712123580321307`*^9, { 3.5712123994658036`*^9, 3.571212411181424*^9}, {3.5712172605092583`*^9, 3.571217297153723*^9}, {3.571223622762637*^9, 3.57122364145147*^9}, { 3.5712237454256525`*^9, 3.571223750745262*^9}, {3.571223964808838*^9, 3.571224009097316*^9}, {3.57122674689975*^9, 3.5712267784742055`*^9}, { 3.5712269848157682`*^9, 3.57122698582977*^9}, {3.5712270624259043`*^9, 3.5712270629563055`*^9}, {3.571227212438168*^9, 3.571227212999769*^9}, { 3.571227409778515*^9, 3.5712274489969835`*^9}, {3.571227502177477*^9, 3.571227514127098*^9}, {3.57122758356282*^9, 3.5712276390521173`*^9}, 3.5712276745889797`*^9, {3.571227712746647*^9, 3.5712277584703274`*^9}, { 3.5712349496076813`*^9, 3.571234988008148*^9}, {3.5712351855668955`*^9, 3.5712353359043593`*^9}, {3.5712355859883986`*^9, 3.571235653661318*^9}, { 3.5712356890109797`*^9, 3.571235702208603*^9}, {3.5712449764989214`*^9, 3.5712449799309273`*^9}, {3.5712450401778336`*^9, 3.571245051456653*^9}, { 3.5712450868687153`*^9, 3.5712450934831266`*^9}, {3.571299135517318*^9, 3.571299166342972*^9}, {3.5713069890574045`*^9, 3.5713071726697273`*^9}, { 3.571307301791154*^9, 3.571307304536759*^9}, {3.571307397731323*^9, 3.571307405702937*^9}, {3.571311846659932*^9, 3.5713118507939396`*^9}, { 3.571317129094411*^9, 3.5713171472216425`*^9}, {3.5713172653138494`*^9, 3.5713172753602676`*^9}, {3.5713216932693615`*^9, 3.5713216983081703`*^9}, {3.5713370477995405`*^9, 3.5713370593279605`*^9}, {3.571404339740199*^9, 3.5714046172178864`*^9}, { 3.571404755449729*^9, 3.571404853246301*^9}, {3.571405069743481*^9, 3.571405208989326*^9}, {3.571405268612631*^9, 3.571405277442246*^9}, { 3.5714053796536255`*^9, 3.5714054114932814`*^9}, {3.571405595448805*^9, 3.5714056194884467`*^9}, {3.5714056687221336`*^9, 3.571405677660949*^9}, 3.5714067334520035`*^9, {3.57140676532286*^9, 3.5714067706580687`*^9}, { 3.571406950729185*^9, 3.571406989495253*^9}, {3.5714071848855963`*^9, 3.571407190579606*^9}, 3.5714072350240846`*^9, {3.571412503236558*^9, 3.5714125080413666`*^9}, {3.571412540879424*^9, 3.571412607787942*^9}, { 3.571412668378448*^9, 3.5714128101202965`*^9}, {3.5714128643147917`*^9, 3.571412873862009*^9}, {3.571412908150869*^9, 3.57141290869687*^9}, { 3.571413012374652*^9, 3.5714130213290677`*^9}, {3.571413054603926*^9, 3.5714130713583555`*^9}, 3.5714133323156137`*^9, {3.571730171730853*^9, 3.571730182494872*^9}, {3.5717303501171665`*^9, 3.5717303600855846`*^9}, { 3.5717305482375145`*^9, 3.5717305527147226`*^9}, {3.571760865342704*^9, 3.5717608700695124`*^9}, {3.57176111957635*^9, 3.5717611228835564`*^9}, 3.571761174316847*^9, {3.5717620076459103`*^9, 3.571762008441512*^9}, { 3.571765525077688*^9, 3.571765573718574*^9}, {3.572601603410675*^9, 3.572601639665139*^9}, {3.57260238631365*^9, 3.5726023989340725`*^9}, 3.5726046985809116`*^9, {3.5726052623971024`*^9, 3.572605269729115*^9}, { 3.572606450370389*^9, 3.5726064833176465`*^9}, {3.5726065169513054`*^9, 3.572606523955718*^9}, {3.5726066452459307`*^9, 3.572606662468361*^9}, { 3.5726068118542233`*^9, 3.5726068309330573`*^9}, {3.5726082044218693`*^9, 3.5726082108178806`*^9}, {3.5726129520308228`*^9, 3.5726129692220526`*^9}, {3.5726130228861475`*^9, 3.5726130532750006`*^9}, {3.572624083881504*^9, 3.572624093631521*^9}, { 3.5726247901883445`*^9, 3.572624801233164*^9}, {3.5726249931759005`*^9, 3.572625014937939*^9}, {3.572626882386019*^9, 3.5726268865668263`*^9}, { 3.5726673740642943`*^9, 3.572667386154316*^9}, {3.572707186162225*^9, 3.5727071892978306`*^9}, {3.5727073766385593`*^9, 3.5727073777617617`*^9}, 3.5727091442464643`*^9, 3.572709305488347*^9, {3.5727105300904984`*^9, 3.5727105312605004`*^9}, 3.5727107350904584`*^9, 3.5727108467086544`*^9, 3.572710916331577*^9, {3.5728420867264705`*^9, 3.5728421164913225`*^9}, { 3.572850453192765*^9, 3.5728504884332275`*^9}, {3.5731485879383316`*^9, 3.5731485959879456`*^9}, {3.5731825263710723`*^9, 3.573182535403488*^9}, { 3.5733139065045433`*^9, 3.5733140549856043`*^9}, 3.574655628725462*^9, 3.574657123722888*^9, {3.5746628507577467`*^9, 3.574662854080552*^9}, { 3.5747411461662536`*^9, 3.5747411501130605`*^9}, {3.5747732863761578`*^9, 3.5747733212266192`*^9}, {3.574777246966323*^9, 3.574777607030555*^9}, { 3.5747831833383493`*^9, 3.5747831840715504`*^9}, {3.5747851902662745`*^9, 3.574785199875891*^9}, 3.5748282451644087`*^9}], Cell["\<\ (*--------------------------------------------------------------------------*) (* next: \[Pi]-clouds for C=C and C=O, half occ each above and below *)\ \>", "Text", CellChangeTimes->{{3.568108824079547*^9, 3.568109012824279*^9}, { 3.568109558076436*^9, 3.568109588168889*^9}, {3.5681097523435774`*^9, 3.5681097637783976`*^9}, {3.5681100381828794`*^9, 3.5681101616726966`*^9}, {3.5681102015307665`*^9, 3.5681102288464146`*^9}, {3.568110263743676*^9, 3.568110267331682*^9}, { 3.5681103163469687`*^9, 3.5681103268925867`*^9}, {3.5681106443375444`*^9, 3.5681106916368275`*^9}, 3.568110873002746*^9, {3.5681109388660617`*^9, 3.5681110268970165`*^9}, {3.568111092526332*^9, 3.568111123461186*^9}, { 3.5681111884196997`*^9, 3.568111192756508*^9}, {3.5681112268113675`*^9, 3.568111366213212*^9}, {3.568111434946933*^9, 3.568111463354583*^9}, { 3.568111544396725*^9, 3.568111547625931*^9}, {3.5681116856081734`*^9, 3.5681117131422215`*^9}, {3.568111864696488*^9, 3.5681119835998964`*^9}, 3.5681120218355637`*^9, {3.56811206543764*^9, 3.568112066389242*^9}, { 3.568112332369709*^9, 3.5681123404505234`*^9}, {3.568112505935614*^9, 3.56811251481203*^9}, {3.5681125623609133`*^9, 3.568112569006525*^9}, { 3.568112648067464*^9, 3.568112734210815*^9}, {3.568112764443668*^9, 3.5681127697320776`*^9}, {3.5681128018681335`*^9, 3.568112843426607*^9}, { 3.568112884641879*^9, 3.5681128887602863`*^9}, {3.5681129663080225`*^9, 3.5681129699584293`*^9}, {3.568113133789917*^9, 3.568113227936082*^9}, { 3.5681132946885996`*^9, 3.5681133044698167`*^9}, {3.568113502200164*^9, 3.568113507348173*^9}, 3.56811354556824*^9, {3.5681222886191964`*^9, 3.5681222896019983`*^9}, {3.568207424138049*^9, 3.5682074415164795`*^9}, 3.568277923134914*^9, 3.568883508322016*^9, 3.568883588350157*^9, 3.5688836441982546`*^9, {3.5703421313965206`*^9, 3.5703421386505337`*^9}, { 3.570342288098796*^9, 3.5703424924279547`*^9}, 3.5709745658726373`*^9, 3.5709746291463485`*^9, {3.5709747534473667`*^9, 3.5709747617933817`*^9}, { 3.5709749537361183`*^9, 3.570975034747061*^9}, {3.5709751055243855`*^9, 3.5709751213584127`*^9}, {3.5709751694532976`*^9, 3.570975200060551*^9}, { 3.571073358435503*^9, 3.5710734289632273`*^9}, {3.571204792969243*^9, 3.571204820940092*^9}, {3.5712048565705547`*^9, 3.571204860002561*^9}, 3.571204896881026*^9, {3.571204943556308*^9, 3.571204987485985*^9}, 3.5712053579722357`*^9, 3.5712054148187356`*^9, 3.5712055260469313`*^9, { 3.571205631237916*^9, 3.5712056608311677`*^9}, {3.571206377683627*^9, 3.5712064172296963`*^9}, {3.571206525727887*^9, 3.571206547427525*^9}, { 3.5712066764397516`*^9, 3.5712067106974115`*^9}, {3.571206757949895*^9, 3.5712067585114956`*^9}, {3.5712073458681273`*^9, 3.571207357053347*^9}, { 3.5712075532392917`*^9, 3.5712076608170805`*^9}, {3.571208007434089*^9, 3.571208247690111*^9}, {3.571208301057805*^9, 3.5712083308850574`*^9}, { 3.571208811958702*^9, 3.571208871488407*^9}, {3.5712089993618317`*^9, 3.5712089996582317`*^9}, {3.5712091105588264`*^9, 3.571209160744115*^9}, { 3.5712092989135575`*^9, 3.5712093003643603`*^9}, {3.571209369940482*^9, 3.5712093926073227`*^9}, {3.5712094586578383`*^9, 3.5712094836958823`*^9}, {3.5712104228175316`*^9, 3.571210434267952*^9}, 3.571210475358424*^9, 3.5712108629099045`*^9, {3.571210903969177*^9, 3.5712109929361334`*^9}, {3.5712110295961976`*^9, 3.5712110392214146`*^9}, {3.571211240071767*^9, 3.5712112940946617`*^9}, { 3.571211404496056*^9, 3.5712114190976815`*^9}, {3.5712115264882703`*^9, 3.5712115363942876`*^9}, {3.571211575924757*^9, 3.5712116183724318`*^9}, { 3.5712116597281046`*^9, 3.571211695062166*^9}, {3.5712117551222715`*^9, 3.5712117807531166`*^9}, {3.571211826835598*^9, 3.5712118443232284`*^9}, { 3.571211962540236*^9, 3.5712119670174437`*^9}, 3.5712123580321307`*^9, { 3.5712123994658036`*^9, 3.571212411181424*^9}, {3.5712172605092583`*^9, 3.571217297153723*^9}, {3.571223622762637*^9, 3.57122364145147*^9}, { 3.5712237454256525`*^9, 3.571223750745262*^9}, {3.571223964808838*^9, 3.571224009097316*^9}, {3.57122674689975*^9, 3.5712267784742055`*^9}, { 3.5712269848157682`*^9, 3.57122698582977*^9}, {3.5712270624259043`*^9, 3.5712270629563055`*^9}, {3.571227212438168*^9, 3.571227212999769*^9}, { 3.571227409778515*^9, 3.5712274489969835`*^9}, {3.571227502177477*^9, 3.571227514127098*^9}, {3.57122758356282*^9, 3.5712276390521173`*^9}, 3.5712276745889797`*^9, {3.571227712746647*^9, 3.5712277584703274`*^9}, { 3.5712349496076813`*^9, 3.571234988008148*^9}, {3.5712351855668955`*^9, 3.5712353359043593`*^9}, {3.5712355859883986`*^9, 3.571235653661318*^9}, { 3.5712356890109797`*^9, 3.571235702208603*^9}, {3.5712449764989214`*^9, 3.5712449799309273`*^9}, {3.5712450401778336`*^9, 3.571245051456653*^9}, { 3.5712450868687153`*^9, 3.5712450934831266`*^9}, {3.571299135517318*^9, 3.571299166342972*^9}, {3.5713069890574045`*^9, 3.5713071726697273`*^9}, { 3.571307301791154*^9, 3.571307304536759*^9}, {3.571307397731323*^9, 3.571307405702937*^9}, {3.571311846659932*^9, 3.5713118507939396`*^9}, { 3.571317129094411*^9, 3.5713171472216425`*^9}, {3.5713172653138494`*^9, 3.5713172753602676`*^9}, {3.5713216932693615`*^9, 3.5713216983081703`*^9}, {3.5713370477995405`*^9, 3.5713370593279605`*^9}, {3.571404339740199*^9, 3.5714046172178864`*^9}, { 3.571404755449729*^9, 3.571404853246301*^9}, {3.571405069743481*^9, 3.571405208989326*^9}, {3.571405268612631*^9, 3.571405277442246*^9}, { 3.5714053796536255`*^9, 3.5714054114932814`*^9}, {3.571405595448805*^9, 3.5714056194884467`*^9}, {3.5714056687221336`*^9, 3.571405677660949*^9}, 3.5714067334520035`*^9, {3.57140676532286*^9, 3.5714067706580687`*^9}, { 3.571406950729185*^9, 3.571406989495253*^9}, {3.5714071848855963`*^9, 3.571407190579606*^9}, 3.5714072350240846`*^9, {3.571412503236558*^9, 3.5714125080413666`*^9}, {3.571412540879424*^9, 3.571412607787942*^9}, { 3.571412668378448*^9, 3.5714128101202965`*^9}, {3.5714128643147917`*^9, 3.571412873862009*^9}, {3.571412908150869*^9, 3.57141290869687*^9}, { 3.571413012374652*^9, 3.5714130213290677`*^9}, {3.571413054603926*^9, 3.5714130713583555`*^9}, 3.5714133323156137`*^9, {3.571730171730853*^9, 3.571730182494872*^9}, {3.5717303501171665`*^9, 3.5717303600855846`*^9}, { 3.5717305482375145`*^9, 3.5717305527147226`*^9}, {3.571760865342704*^9, 3.5717608700695124`*^9}, {3.57176111957635*^9, 3.5717611228835564`*^9}, 3.571761174316847*^9, {3.5717620076459103`*^9, 3.571762008441512*^9}, { 3.571765525077688*^9, 3.571765573718574*^9}, {3.572601603410675*^9, 3.572601639665139*^9}, {3.57260238631365*^9, 3.5726023989340725`*^9}, 3.5726046985809116`*^9, {3.5726052623971024`*^9, 3.572605269729115*^9}, { 3.572606450370389*^9, 3.5726064833176465`*^9}, {3.5726065169513054`*^9, 3.572606523955718*^9}, {3.5726066452459307`*^9, 3.572606662468361*^9}, { 3.5726068118542233`*^9, 3.5726068309330573`*^9}, {3.5726082044218693`*^9, 3.5726082108178806`*^9}, {3.5726129520308228`*^9, 3.5726129692220526`*^9}, {3.5726130228861475`*^9, 3.5726130532750006`*^9}, {3.572624083881504*^9, 3.572624093631521*^9}, { 3.5726247901883445`*^9, 3.572624801233164*^9}, {3.5726249931759005`*^9, 3.572625014937939*^9}, {3.572626882386019*^9, 3.5726268865668263`*^9}, { 3.5726673740642943`*^9, 3.572667386154316*^9}, {3.572707186162225*^9, 3.5727071892978306`*^9}, {3.5727073766385593`*^9, 3.5727073777617617`*^9}, 3.5727091442464643`*^9, 3.572709305488347*^9, {3.5727105300904984`*^9, 3.5727105312605004`*^9}, 3.5727107350904584`*^9, 3.5727108467086544`*^9, 3.572710916331577*^9, {3.5728420867264705`*^9, 3.5728421164913225`*^9}, { 3.572850453192765*^9, 3.5728504884332275`*^9}, {3.5731485879383316`*^9, 3.5731485959879456`*^9}, {3.5731825263710723`*^9, 3.573182535403488*^9}, { 3.5733139065045433`*^9, 3.5733140549856043`*^9}, {3.574655628725462*^9, 3.5746556677099304`*^9}, {3.574782364321311*^9, 3.574782366817315*^9}, { 3.5747823996553726`*^9, 3.5747824011997757`*^9}, {3.574851478943345*^9, 3.574851501984586*^9}}], Cell[BoxData[{ RowBox[{"connc", "=", RowBox[{"Join", "[", RowBox[{ RowBox[{"Table", "[", RowBox[{ RowBox[{"Take", "[", RowBox[{ RowBox[{"conn", "[", RowBox[{"[", RowBox[{"conj", "[", RowBox[{"[", "i", "]"}], "]"}], "]"}], "]"}], ",", "3"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "nj"}], "}"}]}], "]"}], ",", RowBox[{"Table", "[", RowBox[{ RowBox[{"Drop", "[", RowBox[{ RowBox[{"coco", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"{", RowBox[{"1", ",", "1"}], "}"}]}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "oj"}], "}"}]}], "]"}], ",", RowBox[{"Table", "[", RowBox[{ RowBox[{"Drop", "[", RowBox[{ RowBox[{"coco", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"{", RowBox[{"2", ",", "2"}], "}"}]}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "oj"}], "}"}]}], "]"}]}], "]"}]}], "\[IndentingNewLine]", RowBox[{"cj", "=", RowBox[{"Length", "[", "connc", "]"}]}], "\[IndentingNewLine]", RowBox[{ RowBox[{"tpo", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"{", RowBox[{"0", ",", "0", ",", "0"}], "}"}], ",", RowBox[{"{", "cj", "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"tpu", "=", "tpo"}], ";"}]}], "Input", CellChangeTimes->{{3.574782409030989*^9, 3.5747824335386324`*^9}, { 3.57478246631429*^9, 3.5747824836615205`*^9}, {3.574782729892353*^9, 3.574782734509961*^9}, {3.5747827728236284`*^9, 3.574782822150915*^9}, { 3.574782939494321*^9, 3.574782974048382*^9}, {3.5747830324548845`*^9, 3.574783065448942*^9}, {3.574783361818263*^9, 3.5747833666074715`*^9}, { 3.574783407073942*^9, 3.574783441097602*^9}, {3.574783484762079*^9, 3.5747834849804792`*^9}, 3.574783557801407*^9, {3.5747836107946997`*^9, 3.5747836636631927`*^9}, {3.574783719464491*^9, 3.574783731414112*^9}, { 3.574783780975399*^9, 3.5747838001946325`*^9}, {3.574783898490405*^9, 3.5747839481764927`*^9}, {3.5747840180958157`*^9, 3.5747840270034313`*^9}, {3.574784153800454*^9, 3.5747841712568846`*^9}, { 3.5747854335799017`*^9, 3.5747854339543023`*^9}, 3.5747867930286894`*^9, { 3.5747868591884055`*^9, 3.574786865865217*^9}, 3.574787046575935*^9, { 3.574787368045699*^9, 3.574787376922115*^9}, 3.5747874778074923`*^9, { 3.5747875111447506`*^9, 3.5747875582880335`*^9}, {3.5747875958996997`*^9, 3.574787678221044*^9}, 3.574787726456329*^9, {3.574787774847614*^9, 3.5747877758148155`*^9}, 3.5747879836695805`*^9, {3.574788032310466*^9, 3.574788047239692*^9}, {3.5747881733035135`*^9, 3.574788204831169*^9}, { 3.574828128133003*^9, 3.5748281291938047`*^9}, {3.57482825168522*^9, 3.574828270452053*^9}, 3.574828314724931*^9, {3.5748306212357817`*^9, 3.574830621703783*^9}}], Cell[BoxData[ RowBox[{ RowBox[{ RowBox[{"Do", "[", RowBox[{ RowBox[{"(", RowBox[{ RowBox[{"c", " ", "=", " ", RowBox[{"connc", "[", RowBox[{"[", "k", "]"}], "]"}]}], ";", " ", RowBox[{"(*", RowBox[{ RowBox[{"c", " ", "=", " ", RowBox[{"Take", "[", RowBox[{"c", ",", " ", "P"}], "]"}]}], ";"}], "*)"}], " ", "\[IndentingNewLine]", RowBox[{"v", " ", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{"Join", "[", RowBox[{ RowBox[{"t", "[", RowBox[{"[", RowBox[{"c", "[", RowBox[{"[", "i", "]"}], "]"}], "]"}], "]"}], ",", " ", RowBox[{"{", "1", "}"}]}], "]"}], ",", " ", RowBox[{"{", RowBox[{"i", ",", " ", "1", ",", " ", "P"}], "}"}]}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"x2", " ", "=", " ", RowBox[{"t", "[", RowBox[{"[", RowBox[{ RowBox[{"c", "[", RowBox[{"[", "2", "]"}], "]"}], ",", "1"}], "]"}], "]"}]}], ";", " ", "\n", " ", RowBox[{"y2", " ", "=", " ", RowBox[{"t", "[", RowBox[{"[", RowBox[{ RowBox[{"c", "[", RowBox[{"[", "2", "]"}], "]"}], ",", "2"}], "]"}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"z2", " ", "=", " ", RowBox[{"t", "[", RowBox[{"[", RowBox[{ RowBox[{"c", "[", RowBox[{"[", "2", "]"}], "]"}], ",", "3"}], "]"}], "]"}]}], ";", "\[IndentingNewLine]", RowBox[{"Q", " ", "=", " ", RowBox[{"{", RowBox[{ RowBox[{"{", RowBox[{"1", ",", " ", "0", ",", " ", "0", ",", " ", "0"}], "}"}], ",", " ", RowBox[{"{", RowBox[{"0", ",", " ", "1", ",", " ", "0", ",", " ", "0"}], "}"}], ",", " ", RowBox[{"{", RowBox[{"0", ",", " ", "0", ",", " ", "1", ",", " ", "0"}], "}"}], ",", " ", RowBox[{"{", RowBox[{ RowBox[{"-", "x2"}], ",", " ", RowBox[{"-", "y2"}], ",", " ", RowBox[{"-", "z2"}], ",", " ", "1"}], "}"}]}], "}"}]}], ";", " ", "\n", " ", RowBox[{"p", " ", "=", " ", RowBox[{"v", " ", ".", " ", "Q"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"p", " ", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{"Take", "[", RowBox[{ RowBox[{"p", "[", RowBox[{"[", "i", "]"}], "]"}], ",", " ", "3"}], "]"}], ",", " ", RowBox[{"{", RowBox[{"i", ",", " ", "1", ",", " ", "P"}], "}"}]}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"T1", " ", "=", " ", RowBox[{"ArcTan", "[", RowBox[{ RowBox[{"p", "[", RowBox[{"[", RowBox[{"1", ",", "3"}], "]"}], "]"}], "/", RowBox[{"p", "[", RowBox[{"[", RowBox[{"1", ",", "2"}], "]"}], "]"}]}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"U", " ", "=", " ", "p"}], ";", " ", "\n", " ", RowBox[{"T", " ", "=", " ", RowBox[{"RotationMatrix", "[", RowBox[{"T1", ",", " ", RowBox[{"{", RowBox[{"1", ",", " ", "0", ",", " ", "0"}], "}"}]}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"p", " ", "=", " ", RowBox[{"U", " ", ".", " ", "T"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"T2", " ", "=", " ", RowBox[{"ArcTan", "[", RowBox[{ RowBox[{"p", "[", RowBox[{"[", RowBox[{"1", ",", "2"}], "]"}], "]"}], "/", RowBox[{"p", "[", RowBox[{"[", RowBox[{"1", ",", "1"}], "]"}], "]"}]}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"U", " ", "=", " ", "p"}], ";", " ", "\n", " ", RowBox[{"T", " ", "=", " ", RowBox[{"RotationMatrix", "[", RowBox[{"T2", ",", " ", RowBox[{"{", RowBox[{"0", ",", " ", "0", ",", " ", "1"}], "}"}]}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"p", " ", "=", " ", RowBox[{"U", " ", ".", " ", "T"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"T3", " ", "=", " ", RowBox[{"ArcTan", "[", RowBox[{ RowBox[{"p", "[", RowBox[{"[", RowBox[{"3", ",", "3"}], "]"}], "]"}], "/", RowBox[{"p", "[", RowBox[{"[", RowBox[{"3", ",", "2"}], "]"}], "]"}]}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"U", " ", "=", " ", "p"}], ";", " ", "\n", " ", RowBox[{"T", " ", "=", " ", RowBox[{"RotationMatrix", "[", RowBox[{"T3", ",", " ", RowBox[{"{", RowBox[{"1", ",", " ", "0", ",", " ", "0"}], "}"}]}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"p", " ", "=", RowBox[{"U", " ", ".", " ", "T"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"mk", " ", "=", " ", "p"}], ";", " ", "\[IndentingNewLine]", RowBox[{"ml", " ", "=", " ", "p"}], ";", " ", "\[IndentingNewLine]", RowBox[{ RowBox[{"mk", "[", RowBox[{"[", RowBox[{"1", ",", "3"}], "]"}], "]"}], " ", "=", " ", "rpo"}], ";", " ", "\[IndentingNewLine]", RowBox[{ RowBox[{"ml", "[", RowBox[{"[", RowBox[{"1", ",", "3"}], "]"}], "]"}], " ", "=", " ", RowBox[{"-", "rpi"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"U", " ", "=", " ", "p"}], ";", " ", "\n", " ", RowBox[{"U1", " ", "=", " ", "mk"}], ";", " ", "\[IndentingNewLine]", RowBox[{"U2", " ", "=", " ", "ml"}], ";", " ", "\[IndentingNewLine]", RowBox[{"T", " ", "=", " ", RowBox[{"RotationMatrix", "[", RowBox[{ RowBox[{"-", "T3"}], ",", " ", RowBox[{"{", RowBox[{"1", ",", " ", "0", ",", " ", "0"}], "}"}]}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"p", " ", "=", " ", RowBox[{"U", " ", ".", " ", "T"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"mk", " ", "=", " ", RowBox[{"U1", " ", ".", " ", "T"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"ml", " ", "=", " ", RowBox[{"U2", " ", ".", " ", "T"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"U", " ", "=", " ", "p"}], ";", " ", "\[IndentingNewLine]", RowBox[{"U1", " ", "=", " ", "mk"}], ";", " ", "\n", " ", RowBox[{"U2", " ", "=", " ", "ml"}], ";", " ", "\[IndentingNewLine]", RowBox[{"T", " ", "=", " ", RowBox[{"RotationMatrix", "[", RowBox[{ RowBox[{"-", "T2"}], ",", " ", RowBox[{"{", RowBox[{"0", ",", " ", "0", ",", " ", "1"}], "}"}]}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"p", " ", "=", " ", RowBox[{"U", " ", ".", " ", "T"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"mk", " ", "=", " ", RowBox[{"U1", " ", ".", " ", "T"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"ml", " ", "=", " ", RowBox[{"U2", " ", ".", " ", "T"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"U", " ", "=", " ", "p"}], ";", " ", "\[IndentingNewLine]", RowBox[{"U1", " ", "=", " ", "mk"}], ";", " ", "\[IndentingNewLine]", RowBox[{"U2", " ", "=", " ", "ml"}], ";", " ", "\n", " ", RowBox[{"T", " ", "=", " ", RowBox[{"RotationMatrix", "[", RowBox[{ RowBox[{"-", "T1"}], ",", " ", RowBox[{"{", RowBox[{"1", ",", " ", "0", ",", " ", "0"}], "}"}]}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"p", " ", "=", " ", RowBox[{"U", " ", ".", " ", "T"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"mk", " ", "=", " ", RowBox[{"U1", " ", ".", " ", "T"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"ml", " ", "=", " ", RowBox[{"U2", " ", ".", " ", "T"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"Clear", "[", RowBox[{"v", ",", " ", "v1", ",", " ", "v2"}], "]"}], ";", " ", "\n", " ", RowBox[{"v", " ", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{"Join", "[", RowBox[{ RowBox[{"p", "[", RowBox[{"[", "i", "]"}], "]"}], ",", " ", RowBox[{"{", "1", "}"}]}], "]"}], ",", " ", RowBox[{"{", RowBox[{"i", ",", " ", "1", ",", " ", "P"}], "}"}]}], "]"}]}], ";", "\[IndentingNewLine]", RowBox[{"v1", " ", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{"Join", "[", RowBox[{ RowBox[{"mk", "[", RowBox[{"[", "i", "]"}], "]"}], ",", " ", RowBox[{"{", "1", "}"}]}], "]"}], ",", " ", RowBox[{"{", RowBox[{"i", ",", " ", "1", ",", " ", "P"}], "}"}]}], "]"}]}], ";", " ", "\n", " ", RowBox[{"v2", " ", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{"Join", "[", RowBox[{ RowBox[{"ml", "[", RowBox[{"[", "i", "]"}], "]"}], ",", " ", RowBox[{"{", "1", "}"}]}], "]"}], ",", " ", RowBox[{"{", RowBox[{"i", ",", " ", "1", ",", " ", "P"}], "}"}]}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"Q", " ", "=", " ", RowBox[{"{", RowBox[{ RowBox[{"{", RowBox[{"1", ",", " ", "0", ",", " ", "0", ",", " ", "0"}], "}"}], ",", " ", RowBox[{"{", RowBox[{"0", ",", " ", "1", ",", " ", "0", ",", " ", "0"}], "}"}], ",", " ", RowBox[{"{", RowBox[{"0", ",", " ", "0", ",", " ", "1", ",", " ", "0"}], "}"}], ",", " ", RowBox[{"{", RowBox[{"x2", ",", " ", "y2", ",", " ", "z2", ",", " ", "1"}], "}"}]}], "}"}]}], ";", " ", "\n", " ", RowBox[{"p", " ", "=", " ", RowBox[{"v", " ", ".", " ", "Q"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"mk", " ", "=", " ", RowBox[{"v1", " ", ".", " ", "Q"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"ml", " ", "=", " ", RowBox[{"v2", " ", ".", " ", "Q"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"p", " ", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{"Take", "[", RowBox[{ RowBox[{"p", "[", RowBox[{"[", "i", "]"}], "]"}], ",", " ", "3"}], "]"}], ",", " ", RowBox[{"{", RowBox[{"i", ",", " ", "1", ",", " ", "P"}], "}"}]}], "]"}]}], ";", " ", "\n", " ", RowBox[{"mk", " ", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{"Take", "[", RowBox[{ RowBox[{"mk", "[", RowBox[{"[", "i", "]"}], "]"}], ",", " ", "3"}], "]"}], ",", " ", RowBox[{"{", RowBox[{"i", ",", " ", "1", ",", " ", "P"}], "}"}]}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"ml", " ", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{"Take", "[", RowBox[{ RowBox[{"ml", "[", RowBox[{"[", "i", "]"}], "]"}], ",", " ", "3"}], "]"}], ",", " ", RowBox[{"{", RowBox[{"i", ",", " ", "1", ",", " ", "P"}], "}"}]}], "]"}]}], ";", "\[IndentingNewLine]", RowBox[{ RowBox[{"tpo", "[", RowBox[{"[", "k", "]"}], "]"}], " ", "=", " ", RowBox[{"mk", "[", RowBox[{"[", "1", "]"}], "]"}]}], ";", " ", "\n", " ", RowBox[{ RowBox[{"tpu", "[", RowBox[{"[", "k", "]"}], "]"}], " ", "=", " ", RowBox[{"ml", "[", RowBox[{"[", "1", "]"}], "]"}]}]}], ")"}], ",", " ", RowBox[{"{", RowBox[{"k", ",", " ", "cj"}], "}"}]}], "]"}], ";"}], " "}]], "Input", CellChangeTimes->{{3.572794697520533*^9, 3.5727947043221455`*^9}, { 3.5727948024151173`*^9, 3.572794803507119*^9}, {3.5727948673580313`*^9, 3.572794869838436*^9}, {3.572795260993526*^9, 3.5727952676703377`*^9}, { 3.5727954366342344`*^9, 3.5727954702834935`*^9}, {3.5727973545484033`*^9, 3.5727973657024226`*^9}, {3.572803225319809*^9, 3.572803264553878*^9}, { 3.57280330550395*^9, 3.5728033127111626`*^9}, 3.5728033508376293`*^9, 3.5731486865617046`*^9, {3.5731490505259438`*^9, 3.573149068278775*^9}, { 3.573149110008848*^9, 3.573149243825884*^9}, {3.5731493138232064`*^9, 3.5731493450700617`*^9}, {3.574658310026972*^9, 3.5746585452285843`*^9}, { 3.574659591943223*^9, 3.5746596938582015`*^9}, {3.574664442038542*^9, 3.574664456640167*^9}, {3.5747841177643905`*^9, 3.574784120931196*^9}, { 3.574788295155328*^9, 3.5747883150453625`*^9}, {3.5748281376022196`*^9, 3.5748281378830204`*^9}, {3.5748343592063475`*^9, 3.574834363948756*^9}}], Cell["\<\ (*-------------------------------------------------------------------------*) (* next: O23, O24, O26 in C=O, two doubly occ LP *)\ \>", "Text", CellChangeTimes->{{3.573213657265206*^9, 3.5732137071540937`*^9}, { 3.57331351711226*^9, 3.5733135247562733`*^9}, 3.5746557964101562`*^9, { 3.5746643799192324`*^9, 3.5746643831328382`*^9}, 3.5746732567499037`*^9, 3.574740785852421*^9}], Cell[BoxData[ RowBox[{ RowBox[{"k", "=", "1"}], ";"}]], "Input", CellChangeTimes->{{3.573211773936298*^9, 3.5732117775243044`*^9}, { 3.573211816539973*^9, 3.573211838910412*^9}, {3.573211886147295*^9, 3.573211954459815*^9}, {3.5732120794628344`*^9, 3.5732121037052774`*^9}, { 3.5732122844003944`*^9, 3.573212301045624*^9}, {3.5732124220394363`*^9, 3.573212444597076*^9}, {3.5732124755943303`*^9, 3.573212478745536*^9}, { 3.5732125394452424`*^9, 3.573212544234451*^9}, {3.5732125998329487`*^9, 3.5732126277257977`*^9}, 3.5732126684106693`*^9, {3.573212699017923*^9, 3.5732129163887043`*^9}, {3.573312183824718*^9, 3.57331218493232*^9}, 3.574657732950758*^9, {3.5746622177086344`*^9, 3.5746622626523137`*^9}, { 3.5746623611664867`*^9, 3.5746624066249666`*^9}, {3.574662510396349*^9, 3.5746625442640085`*^9}, {3.5746628828158026`*^9, 3.5746629097414503`*^9}, 3.574664223185757*^9, {3.5746695839262524`*^9, 3.574669588512661*^9}, { 3.5746696590715847`*^9, 3.574669659258785*^9}, {3.574682369907935*^9, 3.5746823705943365`*^9}, {3.574682413759612*^9, 3.574682423228829*^9}, { 3.574682475629321*^9, 3.57468248066813*^9}, 3.574682520073799*^9, { 3.5747408251956897`*^9, 3.57474083678651*^9}, {3.5747855534349117`*^9, 3.5747855725761456`*^9}, {3.574785769729292*^9, 3.574785777045705*^9}, 3.574786365775139*^9}], Cell[BoxData[{ RowBox[{ RowBox[{"Clear", "[", "conn", "]"}], ";"}], "\[IndentingNewLine]", RowBox[{"conn", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"Drop", "[", RowBox[{ RowBox[{"coco", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"{", RowBox[{"2", ",", "2"}], "}"}]}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "oj"}], "}"}]}], "]"}]}], "\n", RowBox[{ RowBox[{"(*", RowBox[{ RowBox[{"conn", " ", "=", " ", RowBox[{"{", RowBox[{ RowBox[{"{", RowBox[{"4", ",", "23", ",", "8"}], "}"}], ",", RowBox[{"{", RowBox[{"5", ",", "24", ",", "21"}], "}"}], ",", RowBox[{"{", RowBox[{"18", ",", "26", ",", "19"}], "}"}]}], "}"}]}], ";"}], "*)"}]}]}], "Input", CellChangeTimes->{{3.573211773936298*^9, 3.5732117775243044`*^9}, { 3.573211816539973*^9, 3.573211838910412*^9}, {3.573211886147295*^9, 3.573211954459815*^9}, {3.5732120794628344`*^9, 3.5732121037052774`*^9}, { 3.5732122844003944`*^9, 3.573212301045624*^9}, {3.5732124220394363`*^9, 3.573212444597076*^9}, {3.5732124755943303`*^9, 3.573212478745536*^9}, { 3.5732125394452424`*^9, 3.573212544234451*^9}, {3.5732125998329487`*^9, 3.5732126277257977`*^9}, 3.5732126684106693`*^9, {3.573212699017923*^9, 3.5732129163887043`*^9}, {3.573312183824718*^9, 3.57331218493232*^9}, 3.574657732950758*^9, {3.5746622177086344`*^9, 3.5746622626523137`*^9}, { 3.5746623611664867`*^9, 3.5746624066249666`*^9}, {3.574662510396349*^9, 3.5746625442640085`*^9}, {3.5746628828158026`*^9, 3.5746629097414503`*^9}, 3.574664223185757*^9, {3.5746695839262524`*^9, 3.574669588512661*^9}, { 3.5746696590715847`*^9, 3.574669659258785*^9}, {3.574682369907935*^9, 3.5746823705943365`*^9}, {3.574682413759612*^9, 3.574682423228829*^9}, { 3.574682475629321*^9, 3.57468248066813*^9}, 3.574682520073799*^9, { 3.5747408251956897`*^9, 3.57474083678651*^9}, {3.5747855534349117`*^9, 3.5747855725761456`*^9}, {3.574785769729292*^9, 3.574785777045705*^9}, { 3.574786365775139*^9, 3.574786374511154*^9}}], Cell[BoxData[{ RowBox[{ RowBox[{"rlo", " ", "=", " ", "1.125"}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"tplo", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"{", RowBox[{"0", ",", "0", ",", "0"}], "}"}], ",", RowBox[{"{", "oj", "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"tplu", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"{", RowBox[{"0", ",", "0", ",", "0"}], "}"}], ",", RowBox[{"{", "oj", "}"}]}], "]"}]}], ";"}]}], "Input", CellChangeTimes->{{3.573211773936298*^9, 3.5732117775243044`*^9}, { 3.573211816539973*^9, 3.573211838910412*^9}, {3.573211886147295*^9, 3.573211954459815*^9}, {3.5732120794628344`*^9, 3.5732121037052774`*^9}, { 3.5732122844003944`*^9, 3.573212301045624*^9}, {3.5732124220394363`*^9, 3.573212444597076*^9}, {3.5732124755943303`*^9, 3.573212478745536*^9}, { 3.5732125394452424`*^9, 3.573212544234451*^9}, {3.5732125998329487`*^9, 3.5732126277257977`*^9}, 3.5732126684106693`*^9, {3.573212699017923*^9, 3.5732129163887043`*^9}, {3.573312183824718*^9, 3.57331218493232*^9}, 3.574657732950758*^9, {3.5746622177086344`*^9, 3.5746622626523137`*^9}, { 3.5746623611664867`*^9, 3.5746624066249666`*^9}, {3.574662510396349*^9, 3.5746625442640085`*^9}, {3.5746628828158026`*^9, 3.5746629097414503`*^9}, 3.574664223185757*^9, {3.5746695839262524`*^9, 3.574669588512661*^9}, { 3.5746696590715847`*^9, 3.574669659258785*^9}, {3.574682369907935*^9, 3.5746823705943365`*^9}, {3.574682413759612*^9, 3.574682423228829*^9}, { 3.574682475629321*^9, 3.57468248066813*^9}, 3.574682520073799*^9, { 3.5747408251956897`*^9, 3.57474083678651*^9}, {3.5747855534349117`*^9, 3.5747855725761456`*^9}, {3.574785769729292*^9, 3.574785777045705*^9}, 3.574786365775139*^9}], Cell[BoxData[ RowBox[{ RowBox[{ RowBox[{"Do", "[", RowBox[{ RowBox[{"(", RowBox[{ RowBox[{"c", " ", "=", " ", RowBox[{"conn", "[", RowBox[{"[", "k", "]"}], "]"}]}], ";", "\[IndentingNewLine]", RowBox[{"e1", "=", RowBox[{"c", "[", RowBox[{"[", "1", "]"}], "]"}]}], ";", " ", RowBox[{"e2", "=", RowBox[{"c", "[", RowBox[{"[", "2", "]"}], "]"}]}], ";", " ", RowBox[{ RowBox[{"c", "[", RowBox[{"[", "2", "]"}], "]"}], "=", "e1"}], ";", " ", RowBox[{ RowBox[{"c", "[", RowBox[{"[", "1", "]"}], "]"}], "=", "e2"}], ";", " ", "\[IndentingNewLine]", RowBox[{"a1", " ", "=", " ", RowBox[{"dc", "[", RowBox[{"[", RowBox[{ RowBox[{"c", "[", RowBox[{"[", "2", "]"}], "]"}], ",", RowBox[{"c", "[", RowBox[{"[", "1", "]"}], "]"}]}], "]"}], "]"}]}], ";", " ", RowBox[{"a2", " ", "=", " ", RowBox[{"dc", "[", RowBox[{"[", RowBox[{ RowBox[{"c", "[", RowBox[{"[", "2", "]"}], "]"}], ",", RowBox[{"c", "[", RowBox[{"[", "3", "]"}], "]"}]}], "]"}], "]"}]}], ";", " ", RowBox[{"d1", " ", "=", " ", RowBox[{"dc", "[", RowBox[{"[", RowBox[{ RowBox[{"c", "[", RowBox[{"[", "1", "]"}], "]"}], ",", RowBox[{"c", "[", RowBox[{"[", "3", "]"}], "]"}]}], "]"}], "]"}]}], ";", " ", "\n", RowBox[{"\[Alpha]", " ", "=", " ", RowBox[{"ArcCos", "[", RowBox[{ RowBox[{"(", RowBox[{ RowBox[{"a1", "^", "2"}], " ", "+", " ", RowBox[{"a2", "^", "2"}], " ", "-", " ", RowBox[{"d1", "^", "2"}]}], ")"}], "/", RowBox[{"(", RowBox[{"2", "*", "a1", "*", "a2"}], ")"}]}], "]"}]}], ";", " ", "\n", RowBox[{"L", " ", "=", " ", RowBox[{ RowBox[{"u2", "[", RowBox[{"[", RowBox[{"c", "[", RowBox[{"[", "2", "]"}], "]"}], "]"}], "]"}], " ", "+", " ", "rlo"}]}], ";", " ", "\n", RowBox[{"\[Beta]", " ", "=", " ", RowBox[{"ArcSin", "[", RowBox[{"rlo", "/", "L"}], "]"}]}], ";", " ", "\n", RowBox[{"If", "[", RowBox[{ RowBox[{"k", "\[Equal]", "3"}], ",", RowBox[{"\[Gamma]", " ", "=", RowBox[{ RowBox[{"3", "*", RowBox[{"\[Pi]", "/", "2"}]}], " ", "-", " ", RowBox[{"\[Alpha]", "/", "2"}]}]}], ",", RowBox[{"\[Gamma]", " ", "=", " ", RowBox[{ RowBox[{"\[Pi]", "/", "2"}], " ", "-", " ", RowBox[{"\[Alpha]", "/", "2"}]}]}]}], "]"}], ";", " ", "\n", RowBox[{"v", " ", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{"Join", "[", RowBox[{ RowBox[{"t", "[", RowBox[{"[", RowBox[{"c", "[", RowBox[{"[", "i", "]"}], "]"}], "]"}], "]"}], ",", " ", RowBox[{"{", "1", "}"}]}], "]"}], ",", " ", RowBox[{"{", RowBox[{"i", ",", " ", "1", ",", " ", "P"}], "}"}]}], "]"}]}], ";", " ", "\n", RowBox[{"x2", " ", "=", " ", RowBox[{"t", "[", RowBox[{"[", RowBox[{ RowBox[{"c", "[", RowBox[{"[", "2", "]"}], "]"}], ",", "1"}], "]"}], "]"}]}], ";", " ", "\n", RowBox[{"y2", " ", "=", " ", RowBox[{"t", "[", RowBox[{"[", RowBox[{ RowBox[{"c", "[", RowBox[{"[", "2", "]"}], "]"}], ",", "2"}], "]"}], "]"}]}], ";", " ", "\n", RowBox[{"z2", " ", "=", " ", RowBox[{"t", "[", RowBox[{"[", RowBox[{ RowBox[{"c", "[", RowBox[{"[", "2", "]"}], "]"}], ",", "3"}], "]"}], "]"}]}], ";", " ", "\n", RowBox[{"Q", " ", "=", " ", RowBox[{"{", RowBox[{ RowBox[{"{", RowBox[{"1", ",", " ", "0", ",", " ", "0", ",", " ", "0"}], "}"}], ",", " ", RowBox[{"{", RowBox[{"0", ",", " ", "1", ",", " ", "0", ",", " ", "0"}], "}"}], ",", " ", RowBox[{"{", RowBox[{"0", ",", " ", "0", ",", " ", "1", ",", " ", "0"}], "}"}], ",", " ", RowBox[{"{", RowBox[{ RowBox[{"-", "x2"}], ",", " ", RowBox[{"-", "y2"}], ",", " ", RowBox[{"-", "z2"}], ",", " ", "1"}], "}"}]}], "}"}]}], ";", " ", "\n", RowBox[{"p", " ", "=", " ", RowBox[{"v", " ", ".", " ", "Q"}]}], ";", " ", "\n", RowBox[{"p", " ", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{"Take", "[", RowBox[{ RowBox[{"p", "[", RowBox[{"[", "i", "]"}], "]"}], ",", " ", "3"}], "]"}], ",", " ", RowBox[{"{", RowBox[{"i", ",", " ", "1", ",", " ", "P"}], "}"}]}], "]"}]}], ";", " ", "\n", RowBox[{"T1", " ", "=", " ", RowBox[{"ArcTan", "[", RowBox[{ RowBox[{"p", "[", RowBox[{"[", RowBox[{"1", ",", "3"}], "]"}], "]"}], "/", RowBox[{"p", "[", RowBox[{"[", RowBox[{"1", ",", "2"}], "]"}], "]"}]}], "]"}]}], ";", " ", "\n", RowBox[{"U", " ", "=", " ", "p"}], ";", " ", "\n", RowBox[{"T", " ", "=", " ", RowBox[{"RotationMatrix", "[", RowBox[{"T1", ",", " ", RowBox[{"{", RowBox[{"1", ",", " ", "0", ",", " ", "0"}], "}"}]}], "]"}]}], ";", " ", "\n", RowBox[{"p", " ", "=", " ", RowBox[{"U", " ", ".", " ", "T"}]}], ";", " ", "\n", RowBox[{"T2", " ", "=", " ", RowBox[{"ArcTan", "[", RowBox[{ RowBox[{"p", "[", RowBox[{"[", RowBox[{"1", ",", "2"}], "]"}], "]"}], "/", RowBox[{"p", "[", RowBox[{"[", RowBox[{"1", ",", "1"}], "]"}], "]"}]}], "]"}]}], ";", " ", "\n", RowBox[{"U", " ", "=", " ", "p"}], ";", " ", "\n", RowBox[{"T", " ", "=", " ", RowBox[{"RotationMatrix", "[", RowBox[{"T2", ",", " ", RowBox[{"{", RowBox[{"0", ",", " ", "0", ",", " ", "1"}], "}"}]}], "]"}]}], ";", " ", "\n", RowBox[{"p", " ", "=", " ", RowBox[{"U", " ", ".", " ", "T"}]}], ";", " ", "\n", RowBox[{"T3", " ", "=", " ", RowBox[{"ArcTan", "[", RowBox[{ RowBox[{"p", "[", RowBox[{"[", RowBox[{"3", ",", "3"}], "]"}], "]"}], "/", RowBox[{"p", "[", RowBox[{"[", RowBox[{"3", ",", "2"}], "]"}], "]"}]}], "]"}]}], ";", " ", "\n", RowBox[{"U", " ", "=", " ", "p"}], ";", " ", "\n", RowBox[{"T", " ", "=", " ", RowBox[{"RotationMatrix", "[", RowBox[{"T3", ",", " ", RowBox[{"{", RowBox[{"1", ",", " ", "0", ",", " ", "0"}], "}"}]}], "]"}]}], ";", " ", "\n", RowBox[{"p", " ", "=", " ", RowBox[{"U", " ", ".", " ", "T"}]}], ";", " ", "\n", RowBox[{"nk", " ", "=", " ", "p"}], ";", " ", "\n", RowBox[{"nl", " ", "=", " ", "p"}], ";", " ", "\n", RowBox[{ RowBox[{"nk", "[", RowBox[{"[", RowBox[{"2", ",", "2"}], "]"}], "]"}], " ", "=", " ", RowBox[{ RowBox[{"(", RowBox[{"-", "L"}], ")"}], "*", RowBox[{"Cos", "[", RowBox[{"\[Gamma]", " ", "+", " ", "1.0472"}], "]"}]}]}], ";", " ", RowBox[{ RowBox[{"nk", "[", RowBox[{"[", RowBox[{"2", ",", "1"}], "]"}], "]"}], " ", "=", " ", RowBox[{"L", "*", RowBox[{"Sin", "[", RowBox[{"\[Gamma]", " ", "+", " ", "1.0472"}], "]"}]}]}], ";", " ", RowBox[{ RowBox[{"nk", "[", RowBox[{"[", RowBox[{"2", ",", "3"}], "]"}], "]"}], " ", "=", " ", "0"}], ";", " ", "\n", RowBox[{ RowBox[{"nl", "[", RowBox[{"[", RowBox[{"2", ",", "2"}], "]"}], "]"}], " ", "=", " ", RowBox[{ RowBox[{"(", RowBox[{"-", "L"}], ")"}], "*", RowBox[{"Cos", "[", RowBox[{"\[Gamma]", " ", "-", " ", "1.0472"}], "]"}]}]}], ";", " ", RowBox[{ RowBox[{"nl", "[", RowBox[{"[", RowBox[{"2", ",", "1"}], "]"}], "]"}], " ", "=", " ", RowBox[{"L", "*", RowBox[{"Sin", "[", RowBox[{"\[Gamma]", " ", "-", " ", "1.0472"}], "]"}]}]}], ";", " ", RowBox[{ RowBox[{"nl", "[", RowBox[{"[", RowBox[{"2", ",", "3"}], "]"}], "]"}], " ", "=", " ", "0"}], ";", "\[IndentingNewLine]", RowBox[{"Plota", " ", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{"Graphics3D", "[", RowBox[{"{", RowBox[{ RowBox[{"Opacity", "[", "0.5", "]"}], ",", " ", RowBox[{"Sphere", "[", RowBox[{ RowBox[{"p", "[", RowBox[{"[", "i", "]"}], "]"}], ",", " ", RowBox[{"u2", "[", RowBox[{"[", RowBox[{"c", "[", RowBox[{"[", "i", "]"}], "]"}], "]"}], "]"}]}], "]"}]}], "}"}], "]"}], ",", " ", RowBox[{"{", RowBox[{"i", ",", " ", "1", ",", " ", "P"}], "}"}]}], "]"}]}], ";", " ", "\n", RowBox[{"Plotc", " ", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{"Graphics3D", "[", RowBox[{"{", RowBox[{"Tube", "[", RowBox[{ RowBox[{"{", RowBox[{ RowBox[{"p", "[", RowBox[{"[", "i", "]"}], "]"}], ",", " ", RowBox[{"p", "[", RowBox[{"[", "j", "]"}], "]"}]}], "}"}], ",", " ", "0.02"}], "]"}], "}"}], "]"}], ",", " ", RowBox[{"{", RowBox[{"i", ",", " ", "1", ",", " ", RowBox[{"P", " ", "-", " ", "1"}]}], "}"}], ",", " ", RowBox[{"{", RowBox[{"j", ",", " ", RowBox[{"i", " ", "+", " ", "1"}], ",", " ", "P"}], "}"}]}], "]"}]}], ";", " ", "\n", RowBox[{"Plotd", " ", "=", " ", RowBox[{"Graphics3D", "[", RowBox[{"{", RowBox[{ RowBox[{"Opacity", "[", "0.5", "]"}], ",", " ", RowBox[{"Lighter", "[", "Red", "]"}], ",", " ", RowBox[{"Sphere", "[", RowBox[{ RowBox[{"nk", "[", RowBox[{"[", "2", "]"}], "]"}], ",", " ", "rlo"}], "]"}]}], "}"}], "]"}]}], ";", " ", "\n", RowBox[{"Plote", " ", "=", " ", RowBox[{"Graphics3D", "[", RowBox[{"{", RowBox[{ RowBox[{"Opacity", "[", "0.5", "]"}], ",", " ", RowBox[{"Lighter", "[", "Red", "]"}], ",", " ", RowBox[{"Sphere", "[", RowBox[{ RowBox[{"nl", "[", RowBox[{"[", "2", "]"}], "]"}], ",", " ", "rlo"}], "]"}]}], "}"}], "]"}]}], ";", " ", "\n", RowBox[{"Plotb0", " ", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{"Graphics3D", "[", RowBox[{"Text", "[", RowBox[{ RowBox[{"c", "[", RowBox[{"[", "i", "]"}], "]"}], ",", " ", RowBox[{"p", "[", RowBox[{"[", "i", "]"}], "]"}], ",", " ", RowBox[{"{", RowBox[{"1", ",", " ", "0"}], "}"}]}], "]"}], "]"}], ",", " ", RowBox[{"{", RowBox[{"i", ",", " ", "1", ",", " ", "P"}], "}"}]}], "]"}]}], ";", " ", "\n", RowBox[{ RowBox[{"Show", "[", RowBox[{ "Plotd", ",", " ", "Plote", ",", " ", "Plota", ",", " ", "Plotb0", ",", " ", "Plotc", ",", " ", RowBox[{"{", RowBox[{ RowBox[{"Axes", " ", "->", " ", "Automatic"}], ",", " ", RowBox[{"AxesLabel", " ", "->", " ", RowBox[{"{", RowBox[{"xl", ",", " ", "yl", ",", " ", "zl"}], "}"}]}], ",", " ", RowBox[{"AspectRatio", " ", "->", " ", "Automatic"}], ",", " ", "\n", " ", RowBox[{"Boxed", " ", "->", " ", "False"}], ",", " ", RowBox[{"PlotRange", " ", "->", " ", "All"}], ",", " ", RowBox[{"SphericalRegion", " ", "->", " ", "True"}]}], "}"}]}], "]"}], "\n", RowBox[{"U", " ", "=", " ", "p"}]}], ";", " ", "\n", RowBox[{"U1", " ", "=", " ", "nk"}], ";", " ", "\n", RowBox[{"U2", " ", "=", " ", "nl"}], ";", " ", "\n", RowBox[{"T", " ", "=", " ", RowBox[{"RotationMatrix", "[", RowBox[{ RowBox[{"-", "T3"}], ",", " ", RowBox[{"{", RowBox[{"1", ",", " ", "0", ",", " ", "0"}], "}"}]}], "]"}]}], ";", " ", "\n", RowBox[{"p", " ", "=", " ", RowBox[{"U", " ", ".", " ", "T"}]}], ";", " ", "\n", RowBox[{"nk", " ", "=", " ", RowBox[{"U1", " ", ".", " ", "T"}]}], ";", " ", "\n", RowBox[{"nl", " ", "=", " ", RowBox[{"U2", " ", ".", " ", "T"}]}], ";", " ", "\n", RowBox[{"U", " ", "=", " ", "p"}], ";", " ", "\n", RowBox[{"U1", " ", "=", " ", "nk"}], ";", " ", "\n", RowBox[{"U2", " ", "=", " ", "nl"}], ";", " ", "\n", RowBox[{"T", " ", "=", " ", RowBox[{"RotationMatrix", "[", RowBox[{ RowBox[{"-", "T2"}], ",", " ", RowBox[{"{", RowBox[{"0", ",", " ", "0", ",", " ", "1"}], "}"}]}], "]"}]}], ";", " ", "\n", RowBox[{"p", " ", "=", " ", RowBox[{"U", " ", ".", " ", "T"}]}], ";", " ", "\n", RowBox[{"nk", " ", "=", " ", RowBox[{"U1", " ", ".", " ", "T"}]}], ";", " ", "\n", RowBox[{"nl", " ", "=", " ", RowBox[{"U2", " ", ".", " ", "T"}]}], ";", " ", "\n", RowBox[{"U", " ", "=", " ", "p"}], ";", " ", "\n", RowBox[{"U1", " ", "=", " ", "nk"}], ";", " ", "\n", RowBox[{"U2", " ", "=", " ", "nl"}], ";", " ", "\n", RowBox[{"T", " ", "=", " ", RowBox[{"RotationMatrix", "[", RowBox[{ RowBox[{"-", "T1"}], ",", " ", RowBox[{"{", RowBox[{"1", ",", " ", "0", ",", " ", "0"}], "}"}]}], "]"}]}], ";", " ", "\n", RowBox[{"p", " ", "=", " ", RowBox[{"U", " ", ".", " ", "T"}]}], ";", " ", "\n", RowBox[{"nk", " ", "=", " ", RowBox[{"U1", " ", ".", " ", "T"}]}], ";", " ", "\n", RowBox[{"nl", " ", "=", " ", RowBox[{"U2", " ", ".", " ", "T"}]}], ";", " ", "\n", RowBox[{"Clear", "[", RowBox[{"v", ",", " ", "v1", ",", " ", "v2"}], "]"}], ";", " ", "\n", RowBox[{"v", " ", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{"Join", "[", RowBox[{ RowBox[{"p", "[", RowBox[{"[", "i", "]"}], "]"}], ",", " ", RowBox[{"{", "1", "}"}]}], "]"}], ",", " ", RowBox[{"{", RowBox[{"i", ",", " ", "1", ",", " ", "P"}], "}"}]}], "]"}]}], ";", " ", "\n", RowBox[{"v1", " ", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{"Join", "[", RowBox[{ RowBox[{"nk", "[", RowBox[{"[", "i", "]"}], "]"}], ",", " ", RowBox[{"{", "1", "}"}]}], "]"}], ",", " ", RowBox[{"{", RowBox[{"i", ",", " ", "1", ",", " ", "P"}], "}"}]}], "]"}]}], ";", " ", "\n", RowBox[{"v2", " ", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{"Join", "[", RowBox[{ RowBox[{"nl", "[", RowBox[{"[", "i", "]"}], "]"}], ",", " ", RowBox[{"{", "1", "}"}]}], "]"}], ",", " ", RowBox[{"{", RowBox[{"i", ",", " ", "1", ",", " ", "P"}], "}"}]}], "]"}]}], ";", " ", "\n", RowBox[{"Q", " ", "=", " ", RowBox[{"{", RowBox[{ RowBox[{"{", RowBox[{"1", ",", " ", "0", ",", " ", "0", ",", " ", "0"}], "}"}], ",", " ", RowBox[{"{", RowBox[{"0", ",", " ", "1", ",", " ", "0", ",", " ", "0"}], "}"}], ",", " ", RowBox[{"{", RowBox[{"0", ",", " ", "0", ",", " ", "1", ",", " ", "0"}], "}"}], ",", " ", RowBox[{"{", RowBox[{"x2", ",", " ", "y2", ",", " ", "z2", ",", " ", "1"}], "}"}]}], "}"}]}], ";", " ", "\n", RowBox[{"p", " ", "=", " ", RowBox[{"v", " ", ".", " ", "Q"}]}], ";", " ", "\n", RowBox[{"nk", " ", "=", " ", RowBox[{"v1", " ", ".", " ", "Q"}]}], ";", " ", "\n", RowBox[{"nl", " ", "=", " ", RowBox[{"v2", " ", ".", " ", "Q"}]}], ";", " ", "\n", RowBox[{"p", " ", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{"Take", "[", RowBox[{ RowBox[{"p", "[", RowBox[{"[", "i", "]"}], "]"}], ",", " ", "3"}], "]"}], ",", " ", RowBox[{"{", RowBox[{"i", ",", " ", "1", ",", " ", "P"}], "}"}]}], "]"}]}], ";", " ", "\n", RowBox[{"nk", " ", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{"Take", "[", RowBox[{ RowBox[{"nk", "[", RowBox[{"[", "i", "]"}], "]"}], ",", " ", "3"}], "]"}], ",", " ", RowBox[{"{", RowBox[{"i", ",", " ", "1", ",", " ", "P"}], "}"}]}], "]"}]}], ";", " ", "\n", RowBox[{"nl", " ", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{"Take", "[", RowBox[{ RowBox[{"nl", "[", RowBox[{"[", "i", "]"}], "]"}], ",", " ", "3"}], "]"}], ",", " ", RowBox[{"{", RowBox[{"i", ",", " ", "1", ",", " ", "P"}], "}"}]}], "]"}]}], ";", " ", "\n", RowBox[{ RowBox[{"tplo", "[", RowBox[{"[", "k", "]"}], "]"}], "=", " ", RowBox[{"nk", "[", RowBox[{"[", "2", "]"}], "]"}]}], ";", " ", "\n", RowBox[{ RowBox[{"tplu", "[", RowBox[{"[", "k", "]"}], "]"}], "=", " ", RowBox[{"nl", "[", RowBox[{"[", "2", "]"}], "]"}]}]}], ")"}], ",", RowBox[{"{", RowBox[{"k", ",", "3"}], "}"}]}], "]"}], ";"}], " "}]], "Input", CellChangeTimes->{{3.573211773936298*^9, 3.5732117775243044`*^9}, { 3.573211816539973*^9, 3.573211838910412*^9}, {3.573211886147295*^9, 3.573211954459815*^9}, {3.5732120794628344`*^9, 3.5732121037052774`*^9}, { 3.5732122844003944`*^9, 3.573212301045624*^9}, {3.5732124220394363`*^9, 3.573212444597076*^9}, {3.5732124755943303`*^9, 3.573212478745536*^9}, { 3.5732125394452424`*^9, 3.573212544234451*^9}, {3.5732125998329487`*^9, 3.5732126277257977`*^9}, 3.5732126684106693`*^9, {3.573212699017923*^9, 3.5732129163887043`*^9}, {3.573312183824718*^9, 3.57331218493232*^9}, 3.574657732950758*^9, {3.5746622177086344`*^9, 3.5746622626523137`*^9}, { 3.5746623611664867`*^9, 3.5746624066249666`*^9}, {3.574662510396349*^9, 3.574662530957185*^9}, {3.57466257958247*^9, 3.574662598115303*^9}, { 3.574662628457356*^9, 3.574662634525767*^9}, {3.574662668783427*^9, 3.574662705069091*^9}, {3.574662754053177*^9, 3.57466279008924*^9}, 3.57466293250189*^9, {3.574662992858396*^9, 3.574663053807703*^9}, { 3.5746645474167266`*^9, 3.5746645481187277`*^9}, {3.574664974841877*^9, 3.5746649970095162`*^9}, {3.574669718180088*^9, 3.5746697769141912`*^9}, { 3.5746825528806562`*^9, 3.574682567201482*^9}, {3.574740851185335*^9, 3.5747408518093367`*^9}, {3.574743192827448*^9, 3.574743240033131*^9}, { 3.574786709740143*^9, 3.5747867108789454`*^9}, {3.5748289004747596`*^9, 3.574828999285333*^9}, {3.5748290986419077`*^9, 3.574829104507518*^9}, 3.574829273221814*^9, {3.574829709913381*^9, 3.574829725653809*^9}, { 3.5748301056548767`*^9, 3.5748301059356766`*^9}, 3.5748301718301926`*^9, { 3.5748303463632994`*^9, 3.5748304057682037`*^9}, {3.5748330513144503`*^9, 3.574833084667309*^9}, {3.5748331563338346`*^9, 3.5748331720586624`*^9}, { 3.574834293545832*^9, 3.5748342981478405`*^9}}], Cell["\<\ (*-------------------------------------------------------------------------*) (* next: O22,O25 in C-O-H two doubly occ LP *)\ \>", "Text", CellChangeTimes->{{3.572794697520533*^9, 3.5727947043221455`*^9}, { 3.5727948024151173`*^9, 3.572794803507119*^9}, {3.5727948673580313`*^9, 3.572794869838436*^9}, {3.572795260993526*^9, 3.5727952676703377`*^9}, { 3.5727954366342344`*^9, 3.5727954702834935`*^9}, {3.5727973545484033`*^9, 3.5727973657024226`*^9}, {3.572803225319809*^9, 3.572803264553878*^9}, { 3.57280330550395*^9, 3.5728033127111626`*^9}, 3.5728033508376293`*^9, { 3.572803528365941*^9, 3.5728035301443443`*^9}, {3.572803715051469*^9, 3.572803769604765*^9}, {3.572840261866465*^9, 3.5728402628648667`*^9}, { 3.5728405648813972`*^9, 3.572840578905822*^9}, {3.5728406372187243`*^9, 3.572840716170463*^9}, {3.5728407476825185`*^9, 3.572840785746585*^9}, { 3.5728408298790627`*^9, 3.5728408871311636`*^9}, {3.5728409363336496`*^9, 3.572841070790286*^9}, {3.572841415987692*^9, 3.572841609740032*^9}, 3.5728416910629754`*^9, {3.5728417502806797`*^9, 3.572841879885707*^9}, { 3.572841914564568*^9, 3.5728419300709953`*^9}, {3.572841986199894*^9, 3.572842001659521*^9}, {3.5728426453322515`*^9, 3.5728426487174573`*^9}, { 3.572844776030794*^9, 3.572844786919613*^9}, {3.57284502999924*^9, 3.5728450550060835`*^9}, {3.572845459218394*^9, 3.572845496174859*^9}, { 3.5728455656105804`*^9, 3.572845617574272*^9}, {3.5728456738279705`*^9, 3.572845681440784*^9}, {3.5728457322656736`*^9, 3.572845755291314*^9}, 3.572845978356106*^9, {3.572846145151599*^9, 3.572846189096876*^9}, { 3.572846392926834*^9, 3.5728464086828613`*^9}, 3.572846518881455*^9, 3.5728469699562473`*^9, {3.5728470834620466`*^9, 3.572847089873658*^9}, { 3.572847132180932*^9, 3.5728472650151653`*^9}, 3.5728473515485177`*^9, { 3.572849422046554*^9, 3.572849426554962*^9}, {3.572849678776205*^9, 3.572849686077018*^9}, {3.5728503673146143`*^9, 3.5728503811830387`*^9}, { 3.5728505998798227`*^9, 3.572850604637831*^9}, 3.5730459405924234`*^9, { 3.5731485633994884`*^9, 3.5731485765503116`*^9}, {3.5731486137719765`*^9, 3.57314870088253*^9}, 3.5746558585762653`*^9, {3.574670156150858*^9, 3.5746701578512607`*^9}, {3.5746701931541224`*^9, 3.5746702231061754`*^9}, {3.574670271856261*^9, 3.574670280545476*^9}, { 3.574670327688759*^9, 3.574670328952361*^9}, {3.5746703662988267`*^9, 3.574670379184449*^9}, {3.5746706373025026`*^9, 3.574670676068571*^9}, { 3.574740867627764*^9, 3.574740880248186*^9}}], Cell[BoxData[{ RowBox[{ StyleBox[ RowBox[{ RowBox[{"k", "=", "1"}], ";"}], "Input"], "\n", RowBox[{"(*", RowBox[{ StyleBox[ RowBox[{ RowBox[{"Clear", "[", "conn", "]"}], ";"}], "Input"], "\n", StyleBox[ RowBox[{ RowBox[{"conn", " ", "=", " ", RowBox[{"{", RowBox[{ RowBox[{"{", RowBox[{"48", ",", "22", ",", "5"}], "}"}], ",", RowBox[{"{", RowBox[{"21", ",", "25", ",", "54"}], "}"}]}], "}"}]}], ";"}], "Input"]}], "*)"}]}], "\n", StyleBox[ RowBox[{ RowBox[{"rlo", " ", "=", " ", "1.125"}], ";"}], "Input"], "\n", RowBox[{ RowBox[{"tpso", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"{", RowBox[{"0", ",", "0", ",", "0"}], "}"}], ",", RowBox[{"{", "hj", "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"tpsu", "=", "tpso"}], ";"}], "\[IndentingNewLine]", StyleBox[ RowBox[{ RowBox[{"rlo", "=", "1.125"}], ";"}], "Input"], "\[IndentingNewLine]", RowBox[{ RowBox[{"coch", "[", RowBox[{"[", "1", "]"}], "]"}], "=", RowBox[{"RotateLeft", "[", RowBox[{ RowBox[{"coch", "[", RowBox[{"[", "1", "]"}], "]"}], ",", RowBox[{"-", "1"}]}], "]"}]}]}], "Input", CellChangeTimes->{{3.572794697520533*^9, 3.5727947043221455`*^9}, { 3.5727948024151173`*^9, 3.572794803507119*^9}, {3.5727948673580313`*^9, 3.572794869838436*^9}, {3.572795260993526*^9, 3.5727952676703377`*^9}, { 3.5727954366342344`*^9, 3.5727954702834935`*^9}, {3.5727973545484033`*^9, 3.5727973657024226`*^9}, {3.572803225319809*^9, 3.572803264553878*^9}, { 3.57280330550395*^9, 3.5728033127111626`*^9}, 3.5728033508376293`*^9, { 3.572803528365941*^9, 3.5728035301443443`*^9}, {3.572803715051469*^9, 3.572803769604765*^9}, {3.572840261866465*^9, 3.5728402628648667`*^9}, { 3.5728405648813972`*^9, 3.572840578905822*^9}, {3.5728406372187243`*^9, 3.572840716170463*^9}, {3.5728407476825185`*^9, 3.572840785746585*^9}, { 3.5728408298790627`*^9, 3.5728408871311636`*^9}, {3.5728409363336496`*^9, 3.572841070790286*^9}, {3.572841415987692*^9, 3.572841609740032*^9}, 3.5728416910629754`*^9, {3.5728417502806797`*^9, 3.572841879885707*^9}, { 3.572841914564568*^9, 3.5728419300709953`*^9}, {3.572841986199894*^9, 3.572842001659521*^9}, {3.5728426453322515`*^9, 3.5728426487174573`*^9}, { 3.572844776030794*^9, 3.572844786919613*^9}, {3.57284502999924*^9, 3.5728450550060835`*^9}, {3.572845459218394*^9, 3.572845496174859*^9}, { 3.5728455656105804`*^9, 3.572845617574272*^9}, {3.5728456738279705`*^9, 3.572845681440784*^9}, {3.5728457322656736`*^9, 3.572845755291314*^9}, 3.572845978356106*^9, {3.572846145151599*^9, 3.572846189096876*^9}, { 3.572846392926834*^9, 3.5728464086828613`*^9}, 3.572846518881455*^9, 3.5728469699562473`*^9, {3.5728470834620466`*^9, 3.572847089873658*^9}, { 3.572847132180932*^9, 3.5728472650151653`*^9}, 3.5728473515485177`*^9, { 3.572849422046554*^9, 3.572849426554962*^9}, {3.572849678776205*^9, 3.572849686077018*^9}, {3.5728503673146143`*^9, 3.5728503811830387`*^9}, { 3.5728505998798227`*^9, 3.572850604637831*^9}, 3.5730459405924234`*^9, { 3.5731485633994884`*^9, 3.5731485765503116`*^9}, {3.5731486137719765`*^9, 3.57314870088253*^9}, 3.5746558585762653`*^9, {3.574670156150858*^9, 3.5746701578512607`*^9}, {3.5746701931541224`*^9, 3.5746702231061754`*^9}, {3.574670271856261*^9, 3.574670280545476*^9}, { 3.574670327688759*^9, 3.574670328952361*^9}, {3.5746703662988267`*^9, 3.574670446904168*^9}, {3.5746710892508965`*^9, 3.574671127018563*^9}, { 3.574671266124007*^9, 3.574671266124007*^9}, {3.574671949327207*^9, 3.574671952228812*^9}, 3.5746720468897786`*^9, {3.574672142595947*^9, 3.5746721470419545`*^9}, {3.5747408907470045`*^9, 3.574740924458664*^9}, { 3.574741956213276*^9, 3.5747419624688873`*^9}, {3.5748306614370527`*^9, 3.5748307091575365`*^9}, 3.5748307421983943`*^9, 3.574830849354983*^9, { 3.5748316203083367`*^9, 3.574831676156435*^9}, {3.574831733065335*^9, 3.574831738228944*^9}}], Cell[BoxData[ RowBox[{ RowBox[{ RowBox[{"Do", "[", RowBox[{ RowBox[{ RowBox[{"c", " ", "=", " ", RowBox[{"coch", "[", RowBox[{"[", "k", "]"}], "]"}]}], ";", "\[IndentingNewLine]", RowBox[{"If", "[", RowBox[{ RowBox[{"k", "\[Equal]", "2"}], ",", RowBox[{ RowBox[{"e1", "=", RowBox[{"c", "[", RowBox[{"[", "1", "]"}], "]"}]}], ";", " ", RowBox[{"e2", "=", RowBox[{"c", "[", RowBox[{"[", "2", "]"}], "]"}]}], ";", " ", RowBox[{ RowBox[{"c", "[", RowBox[{"[", "2", "]"}], "]"}], "=", "e1"}], ";", " ", RowBox[{ RowBox[{"c", "[", RowBox[{"[", "1", "]"}], "]"}], "=", "e2"}]}]}], "]"}], ";", " ", "\[IndentingNewLine]", RowBox[{"a1", " ", "=", " ", RowBox[{"dc", "[", RowBox[{"[", RowBox[{ RowBox[{"c", "[", RowBox[{"[", "2", "]"}], "]"}], ",", RowBox[{"c", "[", RowBox[{"[", "1", "]"}], "]"}]}], "]"}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"a2", " ", "=", " ", RowBox[{"dc", "[", RowBox[{"[", RowBox[{ RowBox[{"c", "[", RowBox[{"[", "2", "]"}], "]"}], ",", RowBox[{"c", "[", RowBox[{"[", "3", "]"}], "]"}]}], "]"}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"d1", " ", "=", " ", RowBox[{"dc", "[", RowBox[{"[", RowBox[{ RowBox[{"c", "[", RowBox[{"[", "1", "]"}], "]"}], ",", RowBox[{"c", "[", RowBox[{"[", "3", "]"}], "]"}]}], "]"}], "]"}]}], ";", " ", "\n", " ", RowBox[{"\[Alpha]", " ", "=", " ", RowBox[{"ArcCos", "[", RowBox[{ RowBox[{"(", RowBox[{ RowBox[{"a1", "^", "2"}], " ", "+", " ", RowBox[{"a2", "^", "2"}], " ", "-", " ", RowBox[{"d1", "^", "2"}]}], ")"}], "/", RowBox[{"(", RowBox[{"2", "*", "a1", "*", "a2"}], ")"}]}], "]"}]}], ";", "\[IndentingNewLine]", RowBox[{"\[Beta]", " ", "=", " ", RowBox[{"ArcSin", "[", RowBox[{"rlo", "/", RowBox[{"(", RowBox[{ RowBox[{"u2", "[", RowBox[{"[", "21", "]"}], "]"}], " ", "+", " ", "rlo"}], ")"}]}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"If", "[", RowBox[{ RowBox[{"k", "\[Equal]", "1"}], ",", RowBox[{"\[Gamma]", " ", "=", RowBox[{ RowBox[{"\[Pi]", "/", "2"}], " ", "-", RowBox[{"\[Alpha]", "/", "2"}]}]}], ",", " ", RowBox[{"\[Gamma]", " ", "=", " ", RowBox[{ RowBox[{"3", "*", RowBox[{"\[Pi]", "/", "2"}]}], " ", "-", " ", RowBox[{"\[Alpha]", "/", "2"}]}]}]}], "]"}], ";", " ", "\n", " ", RowBox[{"L", " ", "=", " ", RowBox[{ RowBox[{"(", RowBox[{ RowBox[{"u2", "[", RowBox[{"[", "21", "]"}], "]"}], " ", "+", " ", "rlo"}], ")"}], "*", RowBox[{"Cos", "[", "\[Beta]", "]"}]}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"v", " ", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{"Join", "[", RowBox[{ RowBox[{"t", "[", RowBox[{"[", RowBox[{"c", "[", RowBox[{"[", "i", "]"}], "]"}], "]"}], "]"}], ",", " ", RowBox[{"{", "1", "}"}]}], "]"}], ",", " ", RowBox[{"{", RowBox[{"i", ",", " ", "1", ",", " ", "P"}], "}"}]}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"x2", " ", "=", " ", RowBox[{"t", "[", RowBox[{"[", RowBox[{ RowBox[{"c", "[", RowBox[{"[", "2", "]"}], "]"}], ",", "1"}], "]"}], "]"}]}], ";", " ", "\n", " ", RowBox[{"y2", " ", "=", " ", RowBox[{"t", "[", RowBox[{"[", RowBox[{ RowBox[{"c", "[", RowBox[{"[", "2", "]"}], "]"}], ",", "2"}], "]"}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"z2", " ", "=", " ", RowBox[{"t", "[", RowBox[{"[", RowBox[{ RowBox[{"c", "[", RowBox[{"[", "2", "]"}], "]"}], ",", "3"}], "]"}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"Q", " ", "=", " ", RowBox[{"{", RowBox[{ RowBox[{"{", RowBox[{"1", ",", " ", "0", ",", " ", "0", ",", " ", "0"}], "}"}], ",", " ", RowBox[{"{", RowBox[{"0", ",", " ", "1", ",", " ", "0", ",", " ", "0"}], "}"}], ",", " ", RowBox[{"{", RowBox[{"0", ",", " ", "0", ",", " ", "1", ",", " ", "0"}], "}"}], ",", " ", RowBox[{"{", RowBox[{ RowBox[{"-", "x2"}], ",", " ", RowBox[{"-", "y2"}], ",", " ", RowBox[{"-", "z2"}], ",", " ", "1"}], "}"}]}], "}"}]}], ";", " ", "\n", " ", RowBox[{"p", " ", "=", " ", RowBox[{"v", " ", ".", " ", "Q"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"p", " ", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{"Take", "[", RowBox[{ RowBox[{"p", "[", RowBox[{"[", "i", "]"}], "]"}], ",", " ", "3"}], "]"}], ",", " ", RowBox[{"{", RowBox[{"i", ",", " ", "1", ",", " ", "P"}], "}"}]}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"T1", " ", "=", " ", RowBox[{"ArcTan", "[", RowBox[{ RowBox[{"p", "[", RowBox[{"[", RowBox[{"1", ",", "3"}], "]"}], "]"}], "/", RowBox[{"p", "[", RowBox[{"[", RowBox[{"1", ",", "2"}], "]"}], "]"}]}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"U", " ", "=", " ", "p"}], ";", " ", "\n", " ", RowBox[{"T", " ", "=", " ", RowBox[{"RotationMatrix", "[", RowBox[{"T1", ",", " ", RowBox[{"{", RowBox[{"1", ",", " ", "0", ",", " ", "0"}], "}"}]}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"p", " ", "=", " ", RowBox[{"U", " ", ".", " ", "T"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"T2", " ", "=", " ", RowBox[{"ArcTan", "[", RowBox[{ RowBox[{"p", "[", RowBox[{"[", RowBox[{"1", ",", "2"}], "]"}], "]"}], "/", RowBox[{"p", "[", RowBox[{"[", RowBox[{"1", ",", "1"}], "]"}], "]"}]}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"U", " ", "=", " ", "p"}], ";", " ", "\n", " ", RowBox[{"T", " ", "=", " ", RowBox[{"RotationMatrix", "[", RowBox[{"T2", ",", " ", RowBox[{"{", RowBox[{"0", ",", " ", "0", ",", " ", "1"}], "}"}]}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"p", " ", "=", " ", RowBox[{"U", " ", ".", " ", "T"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"T3", " ", "=", " ", RowBox[{"ArcTan", "[", RowBox[{ RowBox[{"p", "[", RowBox[{"[", RowBox[{"3", ",", "3"}], "]"}], "]"}], "/", RowBox[{"p", "[", RowBox[{"[", RowBox[{"3", ",", "2"}], "]"}], "]"}]}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"U", " ", "=", " ", "p"}], ";", " ", "\n", " ", RowBox[{"T", " ", "=", " ", RowBox[{"RotationMatrix", "[", RowBox[{"T3", ",", " ", RowBox[{"{", RowBox[{"1", ",", " ", "0", ",", " ", "0"}], "}"}]}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"p", " ", "=", " ", RowBox[{"U", " ", ".", " ", "T"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"nk", " ", "=", " ", "p"}], ";", " ", RowBox[{"nl", " ", "=", " ", "p"}], ";", " ", "\[IndentingNewLine]", RowBox[{ RowBox[{"nk", "[", RowBox[{"[", RowBox[{"2", ",", "2"}], "]"}], "]"}], " ", "=", " ", RowBox[{"L", "*", RowBox[{"Cos", "[", "\[Gamma]", "]"}]}]}], ";", " ", RowBox[{ RowBox[{"nk", "[", RowBox[{"[", RowBox[{"2", ",", "1"}], "]"}], "]"}], " ", "=", " ", RowBox[{ RowBox[{"(", RowBox[{"-", "L"}], ")"}], "*", RowBox[{"Sin", "[", "\[Gamma]", "]"}]}]}], ";", " ", RowBox[{ RowBox[{"nk", "[", RowBox[{"[", RowBox[{"2", ",", "3"}], "]"}], "]"}], " ", "=", " ", "rlo"}], ";", " ", "\[IndentingNewLine]", RowBox[{ RowBox[{"nl", "[", RowBox[{"[", RowBox[{"2", ",", "2"}], "]"}], "]"}], " ", "=", " ", RowBox[{"nk", "[", RowBox[{"[", RowBox[{"2", ",", "2"}], "]"}], "]"}]}], ";", " ", RowBox[{ RowBox[{"nl", "[", RowBox[{"[", RowBox[{"2", ",", "1"}], "]"}], "]"}], " ", "=", " ", RowBox[{"nk", "[", RowBox[{"[", RowBox[{"2", ",", "1"}], "]"}], "]"}]}], ";", " ", RowBox[{ RowBox[{"nl", "[", RowBox[{"[", RowBox[{"2", ",", "3"}], "]"}], "]"}], " ", "=", " ", RowBox[{"-", "rlo"}]}], ";", " ", "\n", " ", RowBox[{"Plota", " ", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{"Graphics3D", "[", RowBox[{"{", RowBox[{ RowBox[{"Opacity", "[", "0.5", "]"}], ",", " ", RowBox[{"Sphere", "[", RowBox[{ RowBox[{"p", "[", RowBox[{"[", "i", "]"}], "]"}], ",", " ", RowBox[{"u2", "[", RowBox[{"[", RowBox[{"c", "[", RowBox[{"[", "i", "]"}], "]"}], "]"}], "]"}]}], "]"}]}], "}"}], "]"}], ",", " ", RowBox[{"{", RowBox[{"i", ",", " ", "1", ",", " ", "P"}], "}"}]}], "]"}]}], ";", " ", "\n", " ", RowBox[{"Plotc", " ", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{"Graphics3D", "[", RowBox[{"{", RowBox[{"Tube", "[", RowBox[{ RowBox[{"{", RowBox[{ RowBox[{"p", "[", RowBox[{"[", "i", "]"}], "]"}], ",", " ", RowBox[{"p", "[", RowBox[{"[", "j", "]"}], "]"}]}], "}"}], ",", " ", "0.02"}], "]"}], "}"}], "]"}], ",", " ", RowBox[{"{", RowBox[{"i", ",", " ", "1", ",", " ", RowBox[{"P", " ", "-", " ", "1"}]}], "}"}], ",", " ", RowBox[{"{", RowBox[{"j", ",", " ", RowBox[{"i", " ", "+", " ", "1"}], ",", " ", "P"}], "}"}]}], "]"}]}], ";", " ", "\n", " ", RowBox[{"Plotd", " ", "=", " ", RowBox[{"Graphics3D", "[", RowBox[{"{", RowBox[{ RowBox[{"Opacity", "[", "0.5", "]"}], ",", " ", RowBox[{"Lighter", "[", "Red", "]"}], ",", " ", RowBox[{"Sphere", "[", RowBox[{ RowBox[{"nk", "[", RowBox[{"[", "2", "]"}], "]"}], ",", " ", "rlo"}], "]"}]}], "}"}], "]"}]}], ";", " ", "\n", " ", RowBox[{"Plote", " ", "=", " ", RowBox[{"Graphics3D", "[", RowBox[{"{", RowBox[{ RowBox[{"Opacity", "[", "0.5", "]"}], ",", " ", RowBox[{"Lighter", "[", "Red", "]"}], ",", " ", RowBox[{"Sphere", "[", RowBox[{ RowBox[{"nl", "[", RowBox[{"[", "2", "]"}], "]"}], ",", " ", "rlo"}], "]"}]}], "}"}], "]"}]}], ";", " ", "\n", " ", RowBox[{"Plotb0", " ", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{"Graphics3D", "[", RowBox[{"Text", "[", RowBox[{ RowBox[{"c", "[", RowBox[{"[", "i", "]"}], "]"}], ",", " ", RowBox[{"p", "[", RowBox[{"[", "i", "]"}], "]"}], ",", " ", RowBox[{"{", RowBox[{"1", ",", " ", "0"}], "}"}]}], "]"}], "]"}], ",", " ", RowBox[{"{", RowBox[{"i", ",", " ", "1", ",", " ", "P"}], "}"}]}], "]"}]}], ";", "\n", " ", "\[IndentingNewLine]", " ", RowBox[{ RowBox[{"Show", "[", RowBox[{ "Plotd", ",", " ", "Plote", ",", " ", "Plota", ",", " ", "Plotb0", ",", " ", "Plotc", ",", " ", RowBox[{"{", RowBox[{ RowBox[{"Axes", " ", "->", " ", "Automatic"}], ",", " ", RowBox[{"AxesLabel", " ", "->", " ", RowBox[{"{", RowBox[{"xl", ",", " ", "yl", ",", " ", "zl"}], "}"}]}], ",", " ", "\n", " ", RowBox[{"AspectRatio", " ", "->", " ", "Automatic"}], ",", " ", RowBox[{"Boxed", " ", "->", " ", "False"}], ",", " ", RowBox[{"PlotRange", " ", "->", " ", "Automatic"}], ",", " ", RowBox[{"SphericalRegion", " ", "->", " ", "True"}]}], "}"}]}], "]"}], "\[IndentingNewLine]", RowBox[{"U", " ", "=", " ", "p"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"U1", " ", "=", " ", "nk"}], ";", " ", "\n", " ", RowBox[{"U2", " ", "=", " ", "nl"}], ";", " ", "\[IndentingNewLine]", RowBox[{"T", " ", "=", " ", RowBox[{"RotationMatrix", "[", RowBox[{ RowBox[{"-", "T3"}], ",", " ", RowBox[{"{", RowBox[{"1", ",", " ", "0", ",", " ", "0"}], "}"}]}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"p", " ", "=", " ", RowBox[{"U", " ", ".", " ", "T"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"nk", " ", "=", " ", RowBox[{"U1", " ", ".", " ", "T"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"nl", " ", "=", " ", RowBox[{"U2", " ", ".", " ", "T"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"U", " ", "=", " ", "p"}], ";", " ", "\[IndentingNewLine]", RowBox[{"U1", " ", "=", " ", "nk"}], ";", " ", "\[IndentingNewLine]", RowBox[{"U2", " ", "=", " ", "nl"}], ";", " ", "\n", " ", RowBox[{"T", " ", "=", " ", RowBox[{"RotationMatrix", "[", RowBox[{ RowBox[{"-", "T2"}], ",", " ", RowBox[{"{", RowBox[{"0", ",", " ", "0", ",", " ", "1"}], "}"}]}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"p", " ", "=", " ", RowBox[{"U", " ", ".", " ", "T"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"nk", " ", "=", " ", RowBox[{"U1", " ", ".", " ", "T"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"nl", " ", "=", " ", RowBox[{"U2", " ", ".", " ", "T"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"U", " ", "=", " ", "p"}], ";", " ", "\[IndentingNewLine]", RowBox[{"U1", " ", "=", " ", "nk"}], ";", " ", "\[IndentingNewLine]", RowBox[{"U2", " ", "=", " ", "nl"}], ";", " ", "\n", " ", RowBox[{"T", " ", "=", " ", RowBox[{"RotationMatrix", "[", RowBox[{ RowBox[{"-", "T1"}], ",", " ", RowBox[{"{", RowBox[{"1", ",", " ", "0", ",", " ", "0"}], "}"}]}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"p", " ", "=", " ", RowBox[{"U", " ", ".", " ", "T"}]}], ";", "\[IndentingNewLine]", RowBox[{"nk", " ", "=", " ", RowBox[{"U1", " ", ".", " ", "T"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"nl", " ", "=", " ", RowBox[{"U2", " ", ".", " ", "T"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"Clear", "[", RowBox[{"v", ",", " ", "v1", ",", " ", "v2"}], "]"}], ";", " ", "\n", " ", RowBox[{"v", " ", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{"Join", "[", RowBox[{ RowBox[{"p", "[", RowBox[{"[", "i", "]"}], "]"}], ",", " ", RowBox[{"{", "1", "}"}]}], "]"}], ",", " ", RowBox[{"{", RowBox[{"i", ",", " ", "1", ",", " ", "P"}], "}"}]}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"v1", " ", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{"Join", "[", RowBox[{ RowBox[{"nk", "[", RowBox[{"[", "i", "]"}], "]"}], ",", " ", RowBox[{"{", "1", "}"}]}], "]"}], ",", " ", RowBox[{"{", RowBox[{"i", ",", " ", "1", ",", " ", "P"}], "}"}]}], "]"}]}], ";", " ", "\n", " ", RowBox[{"v2", " ", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{"Join", "[", RowBox[{ RowBox[{"nl", "[", RowBox[{"[", "i", "]"}], "]"}], ",", " ", RowBox[{"{", "1", "}"}]}], "]"}], ",", " ", RowBox[{"{", RowBox[{"i", ",", " ", "1", ",", " ", "P"}], "}"}]}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"Q", " ", "=", " ", RowBox[{"{", RowBox[{ RowBox[{"{", RowBox[{"1", ",", " ", "0", ",", " ", "0", ",", " ", "0"}], "}"}], ",", " ", RowBox[{"{", RowBox[{"0", ",", " ", "1", ",", " ", "0", ",", " ", "0"}], "}"}], ",", " ", RowBox[{"{", RowBox[{"0", ",", " ", "0", ",", " ", "1", ",", " ", "0"}], "}"}], ",", " ", RowBox[{"{", RowBox[{"x2", ",", " ", "y2", ",", " ", "z2", ",", " ", "1"}], "}"}]}], "}"}]}], ";", " ", "\n", " ", RowBox[{"p", " ", "=", " ", RowBox[{"v", " ", ".", " ", "Q"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"nk", " ", "=", " ", RowBox[{"v1", " ", ".", " ", "Q"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"nl", " ", "=", " ", RowBox[{"v2", " ", ".", " ", "Q"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"p", " ", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{"Take", "[", RowBox[{ RowBox[{"p", "[", RowBox[{"[", "i", "]"}], "]"}], ",", " ", "3"}], "]"}], ",", " ", RowBox[{"{", RowBox[{"i", ",", " ", "1", ",", " ", "P"}], "}"}]}], "]"}]}], ";", " ", "\n", " ", RowBox[{"nk", " ", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{"Take", "[", RowBox[{ RowBox[{"nk", "[", RowBox[{"[", "i", "]"}], "]"}], ",", " ", "3"}], "]"}], ",", " ", RowBox[{"{", RowBox[{"i", ",", " ", "1", ",", " ", "P"}], "}"}]}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{"nl", " ", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{"Take", "[", RowBox[{ RowBox[{"nl", "[", RowBox[{"[", "i", "]"}], "]"}], ",", " ", "3"}], "]"}], ",", " ", RowBox[{"{", RowBox[{"i", ",", " ", "1", ",", " ", "P"}], "}"}]}], "]"}]}], ";", " ", "\[IndentingNewLine]", RowBox[{ RowBox[{"tpso", "[", RowBox[{"[", "k", "]"}], "]"}], " ", "=", " ", RowBox[{"nk", "[", RowBox[{"[", "2", "]"}], "]"}]}], ";", " ", "\n", " ", RowBox[{ RowBox[{"tpsu", "[", RowBox[{"[", "k", "]"}], "]"}], " ", "=", " ", RowBox[{"nl", "[", RowBox[{"[", "2", "]"}], "]"}]}]}], ",", " ", RowBox[{"{", RowBox[{"k", ",", " ", "hj"}], "}"}]}], "]"}], ";"}], " "}]], "Input", CellChangeTimes->{{3.572794697520533*^9, 3.5727947043221455`*^9}, { 3.5727948024151173`*^9, 3.572794803507119*^9}, {3.5727948673580313`*^9, 3.572794869838436*^9}, {3.572795260993526*^9, 3.5727952676703377`*^9}, { 3.5727954366342344`*^9, 3.5727954702834935`*^9}, {3.5727973545484033`*^9, 3.5727973657024226`*^9}, {3.572803225319809*^9, 3.572803264553878*^9}, { 3.57280330550395*^9, 3.5728033127111626`*^9}, 3.5728033508376293`*^9, { 3.572803528365941*^9, 3.5728035301443443`*^9}, {3.572803715051469*^9, 3.572803769604765*^9}, {3.572840261866465*^9, 3.5728402628648667`*^9}, { 3.5728405648813972`*^9, 3.572840578905822*^9}, {3.5728406372187243`*^9, 3.572840716170463*^9}, {3.5728407476825185`*^9, 3.572840785746585*^9}, { 3.5728408298790627`*^9, 3.5728408871311636`*^9}, {3.5728409363336496`*^9, 3.572841070790286*^9}, {3.572841415987692*^9, 3.572841609740032*^9}, 3.5728416910629754`*^9, {3.5728417502806797`*^9, 3.572841879885707*^9}, { 3.572841914564568*^9, 3.5728419300709953`*^9}, {3.572841986199894*^9, 3.572842001659521*^9}, {3.5728426453322515`*^9, 3.5728426487174573`*^9}, { 3.572844776030794*^9, 3.572844786919613*^9}, {3.57284502999924*^9, 3.5728450550060835`*^9}, {3.572845459218394*^9, 3.572845496174859*^9}, { 3.5728455656105804`*^9, 3.572845617574272*^9}, {3.5728456738279705`*^9, 3.572845681440784*^9}, {3.5728457322656736`*^9, 3.572845755291314*^9}, 3.572845978356106*^9, {3.572846145151599*^9, 3.572846189096876*^9}, { 3.572846392926834*^9, 3.5728464086828613`*^9}, 3.572846518881455*^9, 3.5728469699562473`*^9, {3.5728470834620466`*^9, 3.572847089873658*^9}, { 3.572847132180932*^9, 3.5728472650151653`*^9}, 3.5728473515485177`*^9, { 3.572849422046554*^9, 3.572849426554962*^9}, {3.572849678776205*^9, 3.572849686077018*^9}, {3.5728503673146143`*^9, 3.5728503811830387`*^9}, { 3.5728505998798227`*^9, 3.572850604637831*^9}, 3.5730459405924234`*^9, { 3.5731485633994884`*^9, 3.5731485765503116`*^9}, {3.5731486137719765`*^9, 3.57314870088253*^9}, 3.5746558585762653`*^9, {3.574670156150858*^9, 3.5746701578512607`*^9}, {3.5746701931541224`*^9, 3.5746702231061754`*^9}, {3.574670271856261*^9, 3.574670280545476*^9}, { 3.574670327688759*^9, 3.574670328952361*^9}, {3.5746703662988267`*^9, 3.574670379184449*^9}, {3.57467048205103*^9, 3.5746705596923666`*^9}, { 3.57467096030107*^9, 3.574670965371079*^9}, {3.574671247216774*^9, 3.5746712771688266`*^9}, {3.5746714284734926`*^9, 3.5746715738501472`*^9}, {3.574671616063822*^9, 3.574671780534911*^9}, 3.5746718110797644`*^9, 3.5746721941540375`*^9, {3.5746722378497143`*^9, 3.5746722899070053`*^9}, {3.574672371073948*^9, 3.574672409106815*^9}, { 3.5746724505248876`*^9, 3.5746724544404945`*^9}, {3.57467249738737*^9, 3.574672498401372*^9}, 3.574672534031834*^9, {3.574742024385396*^9, 3.574742025524198*^9}, {3.574830761168028*^9, 3.574830777984857*^9}, { 3.574830820947333*^9, 3.5748308292933474`*^9}, {3.5748311210138597`*^9, 3.5748311809803653`*^9}, {3.574831455806048*^9, 3.5748314566796494`*^9}, { 3.5748315927430887`*^9, 3.574831592899089*^9}, 3.5748317545777726`*^9, { 3.5748342338445272`*^9, 3.574834240209338*^9}}], Cell[BoxData[{ RowBox[{ RowBox[{"DeleteFile", "[", " ", "\"\\"", "]"}], ";"}], "\[IndentingNewLine]", RowBox[{"For", "[", RowBox[{ RowBox[{"i", "=", "2"}], ",", RowBox[{"i", "<", RowBox[{"n", "+", "2"}]}], ",", RowBox[{"i", "++"}], ",", "\[IndentingNewLine]", RowBox[{"For", "[", RowBox[{ RowBox[{"j", "=", "2"}], ",", RowBox[{"j", "\[LessEqual]", "i"}], ",", RowBox[{"j", "++"}], ",", "\[IndentingNewLine]", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"Pij", "[", RowBox[{"[", RowBox[{"i", ",", "j"}], "]"}], "]"}], ">", "0"}], ",", RowBox[{ RowBox[{"{", RowBox[{ RowBox[{"i", "-", "1"}], ",", RowBox[{"j", "-", "1"}], ",", RowBox[{"Extract", "[", RowBox[{"Pij", ",", RowBox[{"{", RowBox[{"i", ",", "j"}], "}"}]}], "]"}]}], "}"}], ">>>", " ", "\"\\""}]}], "]"}]}], "]"}]}], "]"}]}], "Input", CellChangeTimes->{{3.5681154444347754`*^9, 3.568115497147268*^9}, { 3.568127214924899*^9, 3.568127265796589*^9}, {3.568128215276656*^9, 3.568128238536297*^9}, {3.568130718566253*^9, 3.5681307485339055`*^9}, 3.5681308175952272`*^9, {3.5681308916497574`*^9, 3.5681309458598523`*^9}, { 3.5681309983383446`*^9, 3.5681310118947687`*^9}, {3.5681310723448744`*^9, 3.568131074357278*^9}, {3.5681315215476637`*^9, 3.568131584509374*^9}, { 3.56813162789305*^9, 3.5681316427754765`*^9}, {3.5681317113063965`*^9, 3.568131715268804*^9}, {3.5681323203938665`*^9, 3.5681323260098763`*^9}, { 3.568132387567585*^9, 3.568132440014877*^9}, {3.5681325121026034`*^9, 3.568132590945142*^9}, {3.56813274298981*^9, 3.5681327548302307`*^9}, { 3.568132877867647*^9, 3.568132888335265*^9}, {3.568133052345154*^9, 3.568133072344389*^9}, {3.5681331740533676`*^9, 3.5681331951446047`*^9}, { 3.568133267793932*^9, 3.5681332684803333`*^9}, {3.5681335079111547`*^9, 3.568133536833606*^9}, {3.5681336272201643`*^9, 3.5681336314945717`*^9}, { 3.568133737994359*^9, 3.568133744000369*^9}, {3.568133978515581*^9, 3.5681339917912045`*^9}, {3.5681340324916763`*^9, 3.5681340418204927`*^9}, {3.568134244262048*^9, 3.5681342454944506`*^9}, { 3.5681343354754086`*^9, 3.568134336099409*^9}, {3.5681345828762426`*^9, 3.568134583952645*^9}, {3.5681348406666956`*^9, 3.5681348474683075`*^9}, 3.568134889151581*^9, {3.5681352914606876`*^9, 3.568135296265496*^9}, { 3.568135518877887*^9, 3.568135519595488*^9}, 3.5681357593679094`*^9, { 3.5681787035360527`*^9, 3.568178728449296*^9}, 3.5682779128076954`*^9, { 3.572714864038488*^9, 3.572714889419732*^9}, {3.5727149730514793`*^9, 3.57271500191153*^9}, {3.572715036933592*^9, 3.5727150664176435`*^9}, { 3.572715803191337*^9, 3.572715915183934*^9}, {3.5727159899548655`*^9, 3.572716037722149*^9}, {3.572767087700392*^9, 3.5727670990260115`*^9}, 3.5727756458897667`*^9, {3.5727757435615377`*^9, 3.5727758099084544`*^9}}], Cell[BoxData[{ RowBox[{"a", "=", RowBox[{ "ReadList", "[", "\"\\"", "]"}]}], "\[IndentingNewLine]", RowBox[{"nb", "=", RowBox[{"Length", "[", "a", "]"}]}], "\[IndentingNewLine]", RowBox[{"cw", "=", RowBox[{"nb", "-", "bh"}]}]}], "Input", CellChangeTimes->{{3.5681343270045934`*^9, 3.568134331481801*^9}, 3.5681343823222904`*^9, {3.5681345934218616`*^9, 3.5681345986322703`*^9}, { 3.568134635479535*^9, 3.5681346521559644`*^9}, {3.5681351451792307`*^9, 3.568135145428831*^9}, {3.5681351781888885`*^9, 3.5681352349417877`*^9}, { 3.568135340163973*^9, 3.568135340335573*^9}, {3.568135523495495*^9, 3.5681355244314966`*^9}, {3.5681357674799232`*^9, 3.5681357771675406`*^9}, {3.568136284433632*^9, 3.5681362987700567`*^9}, { 3.568136395053426*^9, 3.5681363965510283`*^9}, {3.568381170343589*^9, 3.568381179844005*^9}, {3.5689533222924633`*^9, 3.568953376658559*^9}}], Cell[BoxData[{ RowBox[{ RowBox[{"wxc", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{ RowBox[{ RowBox[{ RowBox[{"(", RowBox[{ RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "3"}], "]"}], "]"}], "+", RowBox[{"u2", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "]"}], "]"}]}], ")"}], "/", RowBox[{"(", RowBox[{ RowBox[{"u2", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "]"}], "]"}], "+", RowBox[{"2", "*", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "3"}], "]"}], "]"}]}], "+", RowBox[{"u2", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "2"}], "]"}], "]"}], "]"}], "]"}]}], ")"}]}], "*", RowBox[{"(", RowBox[{ RowBox[{"x", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "2"}], "]"}], "]"}], "]"}], "]"}], "-", RowBox[{"x", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "]"}], "]"}]}], ")"}]}], "+", RowBox[{"x", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "]"}], "]"}]}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "cw"}], "}"}]}], "]"}]}], ";"}], "\n", RowBox[{ RowBox[{ RowBox[{"wyc", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{ RowBox[{ RowBox[{ RowBox[{"(", RowBox[{ RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "3"}], "]"}], "]"}], "+", RowBox[{"u2", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "]"}], "]"}]}], ")"}], "/", RowBox[{"(", RowBox[{ RowBox[{"u2", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "]"}], "]"}], "+", RowBox[{"2", "*", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "3"}], "]"}], "]"}]}], "+", RowBox[{"u2", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "2"}], "]"}], "]"}], "]"}], "]"}]}], ")"}]}], "*", RowBox[{"(", RowBox[{ RowBox[{"y", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "2"}], "]"}], "]"}], "]"}], "]"}], "-", RowBox[{"y", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "]"}], "]"}]}], ")"}]}], "+", RowBox[{"y", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "]"}], "]"}]}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "cw"}], "}"}]}], "]"}]}], ";"}], " "}], "\n", RowBox[{ RowBox[{"wzc", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{ RowBox[{ RowBox[{ RowBox[{"(", RowBox[{ RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "3"}], "]"}], "]"}], "+", RowBox[{"u2", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "]"}], "]"}]}], ")"}], "/", RowBox[{"(", RowBox[{ RowBox[{"u2", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "]"}], "]"}], "+", RowBox[{"2", "*", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "3"}], "]"}], "]"}]}], "+", RowBox[{"u2", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "2"}], "]"}], "]"}], "]"}], "]"}]}], ")"}]}], "*", RowBox[{"(", RowBox[{ RowBox[{"z", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "2"}], "]"}], "]"}], "]"}], "]"}], "-", RowBox[{"z", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "]"}], "]"}]}], ")"}]}], "+", RowBox[{"z", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "]"}], "]"}]}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "cw"}], "}"}]}], "]"}]}], ";"}]}], "Input", CellChangeTimes->{{3.5681365021632137`*^9, 3.5681365171392403`*^9}, { 3.568136560351316*^9, 3.5681365863097615`*^9}, {3.5681369135895367`*^9, 3.5681369265999594`*^9}, {3.568137821916732*^9, 3.5681378378443604`*^9}, { 3.5682072492149415`*^9, 3.5682072529901485`*^9}, 3.568209802830227*^9, { 3.5682216503836985`*^9, 3.5682217583046885`*^9}, {3.5682217912831464`*^9, 3.568221843465238*^9}, {3.5682219760654707`*^9, 3.5682221133457117`*^9}, { 3.568222159615393*^9, 3.5682221693498106`*^9}, {3.5682222565227633`*^9, 3.5682222578487663`*^9}, 3.5682224736283445`*^9, 3.5682227227607822`*^9, 3.5682227558640404`*^9, {3.568222818810151*^9, 3.5682228486062036`*^9}, { 3.5682230057764797`*^9, 3.5682230079916835`*^9}, {3.568223041952943*^9, 3.5682230548229656`*^9}, 3.5682232619601297`*^9, 3.5682233000709963`*^9, { 3.568223536645412*^9, 3.5682235381118145`*^9}, {3.568223591151908*^9, 3.568223591526308*^9}, {3.5682236491528096`*^9, 3.568223657483224*^9}, { 3.568223713222122*^9, 3.5682237532361927`*^9}, {3.568223800379475*^9, 3.568223827648323*^9}, {3.5682238887380304`*^9, 3.5682238893152313`*^9}, { 3.5682240287170763`*^9, 3.5682240612431335`*^9}, 3.5682241088076167`*^9, { 3.568224198772975*^9, 3.5682242396450467`*^9}, {3.568224282170721*^9, 3.5682243185031853`*^9}, {3.568224437890195*^9, 3.568224439590598*^9}, { 3.568224572253231*^9, 3.5682245867144566`*^9}, {3.5682247081762695`*^9, 3.568224733557514*^9}, {3.56822480520844*^9, 3.5682248433505073`*^9}, { 3.568224884206979*^9, 3.5682248959069996`*^9}, {3.568224982830352*^9, 3.5682250047639904`*^9}, {3.56822503870965*^9, 3.5682250803305235`*^9}, { 3.5682251223413973`*^9, 3.568225141451431*^9}, {3.568225234177994*^9, 3.5682252929588966`*^9}, {3.5682253775890455`*^9, 3.568225482140429*^9}, { 3.56822551694409*^9, 3.5682255297205124`*^9}, {3.568225573197789*^9, 3.5682255809666023`*^9}, 3.568225660698343*^9, 3.5682257301964645`*^9, { 3.568225765078126*^9, 3.5682257828933573`*^9}, {3.568225927026843*^9, 3.568225927416844*^9}, {3.568267062420238*^9, 3.568267081358671*^9}, { 3.568267188328059*^9, 3.5682672830358257`*^9}, {3.5682676367040462`*^9, 3.568267747979042*^9}, 3.5682678404716043`*^9, 3.568267882030078*^9, { 3.5682679252577534`*^9, 3.568267996612279*^9}, {3.5682680488879704`*^9, 3.568268061133992*^9}, {3.568268100914062*^9, 3.5682681150944867`*^9}, { 3.5682681672609787`*^9, 3.5682681709113846`*^9}, {3.568268272904364*^9, 3.5682683182536435`*^9}, {3.5682685202739983`*^9, 3.568268599194537*^9}, { 3.5682686348873997`*^9, 3.568268637773405*^9}, {3.5682686944951043`*^9, 3.568268872273017*^9}, {3.5682689420207396`*^9, 3.568269016947671*^9}, { 3.5682695040741262`*^9, 3.568269601153097*^9}, {3.5682696652380095`*^9, 3.5682696728352227`*^9}, {3.5682697489633565`*^9, 3.5682698308635006`*^9}, {3.568271156491429*^9, 3.568271160063835*^9}, { 3.568271244927984*^9, 3.568271369010602*^9}, {3.5682716250070515`*^9, 3.5682717312276382`*^9}, {3.5682717843301315`*^9, 3.5682718576814604`*^9}, {3.568271940673606*^9, 3.5682720536490045`*^9}, { 3.5682722259669075`*^9, 3.5682723223126764`*^9}, {3.568272370813162*^9, 3.568272411466833*^9}, {3.5682725893539457`*^9, 3.568272622238803*^9}, { 3.5682726936713285`*^9, 3.5682726960113325`*^9}, {3.568272741079812*^9, 3.56827275143823*^9}, {3.5682729218373294`*^9, 3.568272991070251*^9}, { 3.5682734285574193`*^9, 3.5682734302890224`*^9}, {3.5682734898811274`*^9, 3.5682735111595645`*^9}, {3.5682736115925407`*^9, 3.5682736313577757`*^9}, {3.5682738601945777`*^9, 3.568273987272401*^9}, { 3.5682763944346285`*^9, 3.5682764313910933`*^9}, 3.5682765128232365`*^9, { 3.5682766527398825`*^9, 3.568276660976697*^9}, {3.5682774496048822`*^9, 3.568277461663703*^9}, {3.5683784032731285`*^9, 3.568378422991563*^9}, { 3.568378459308427*^9, 3.5683784812420654`*^9}, {3.568378513440522*^9, 3.568378867046343*^9}, {3.568378915468828*^9, 3.56837896203491*^9}, { 3.5683790764299107`*^9, 3.568379270041851*^9}, {3.568380233530743*^9, 3.568380234388745*^9}, 3.5683804214954734`*^9, 3.568380471867962*^9, 3.5683805399464817`*^9, {3.5683812396077104`*^9, 3.568381293537005*^9}, { 3.568381339541486*^9, 3.5683813935175805`*^9}, 3.5684646396646404`*^9, 3.5684646988823442`*^9, 3.568465086387025*^9, {3.5684655859935026`*^9, 3.568465605087936*^9}, 3.568821235038273*^9, 3.5688233741452303`*^9, 3.568823449742963*^9, 3.5688274593312387`*^9, {3.5688284679978104`*^9, 3.5688284689026117`*^9}, {3.5688285131598897`*^9, 3.5688285201487017`*^9}, 3.5688285866360188`*^9, {3.5688292397623663`*^9, 3.568829246688778*^9}, { 3.5688780328231993`*^9, 3.568878075458074*^9}, 3.5688953020257144`*^9, 3.5693395777359695`*^9, {3.569339615191635*^9, 3.569339617079238*^9}, { 3.5693396917877693`*^9, 3.56933969216217*^9}, 3.5693893483274703`*^9}], Cell[BoxData[ RowBox[{ RowBox[{"Plot7", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"Graphics3D", "[", RowBox[{"{", RowBox[{ RowBox[{"Darker", "[", RowBox[{"Brown", ",", "0.4"}], "]"}], ",", RowBox[{"Opacity", "[", "0.5", "]"}], ",", RowBox[{"If", "[", RowBox[{ RowBox[{ RowBox[{"wxc", "[", RowBox[{"[", "i", "]"}], "]"}], "\[NotEqual]", "0"}], ",", RowBox[{"Sphere", "[", RowBox[{ RowBox[{"{", RowBox[{ RowBox[{"wxc", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"wyc", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"wzc", "[", RowBox[{"[", "i", "]"}], "]"}]}], "}"}], ",", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "3"}], "]"}], "]"}]}], "]"}]}], "]"}]}], "}"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "cw"}], "}"}]}], "]"}]}], ";"}]], "Input", CellChangeTimes->{{3.5681365021632137`*^9, 3.5681365171392403`*^9}, { 3.568136560351316*^9, 3.5681365863097615`*^9}, {3.5681369135895367`*^9, 3.5681369265999594`*^9}, {3.568137821916732*^9, 3.5681378378443604`*^9}, { 3.5682072492149415`*^9, 3.5682072529901485`*^9}, 3.568209802830227*^9, { 3.5682216503836985`*^9, 3.5682217583046885`*^9}, {3.5682217912831464`*^9, 3.568221843465238*^9}, {3.5682219760654707`*^9, 3.5682221133457117`*^9}, { 3.568222159615393*^9, 3.5682221693498106`*^9}, {3.5682222565227633`*^9, 3.5682222578487663`*^9}, 3.5682224736283445`*^9, 3.5682227227607822`*^9, 3.5682227558640404`*^9, {3.568222818810151*^9, 3.5682228486062036`*^9}, { 3.5682230057764797`*^9, 3.5682230079916835`*^9}, {3.568223041952943*^9, 3.5682230548229656`*^9}, 3.5682232619601297`*^9, 3.5682233000709963`*^9, { 3.568223536645412*^9, 3.5682235381118145`*^9}, {3.568223591151908*^9, 3.568223591526308*^9}, {3.5682236491528096`*^9, 3.568223657483224*^9}, { 3.568223713222122*^9, 3.5682237532361927`*^9}, {3.568223800379475*^9, 3.568223827648323*^9}, {3.5682238887380304`*^9, 3.5682238893152313`*^9}, { 3.5682240287170763`*^9, 3.5682240612431335`*^9}, 3.5682241088076167`*^9, { 3.568224198772975*^9, 3.5682242396450467`*^9}, {3.568224282170721*^9, 3.5682243185031853`*^9}, {3.568224437890195*^9, 3.568224439590598*^9}, { 3.568224572253231*^9, 3.5682245867144566`*^9}, {3.5682247081762695`*^9, 3.568224733557514*^9}, {3.56822480520844*^9, 3.5682248433505073`*^9}, { 3.568224884206979*^9, 3.5682248959069996`*^9}, {3.568224982830352*^9, 3.5682250047639904`*^9}, {3.56822503870965*^9, 3.5682250803305235`*^9}, { 3.5682251223413973`*^9, 3.568225141451431*^9}, {3.568225234177994*^9, 3.5682252929588966`*^9}, {3.5682253775890455`*^9, 3.568225482140429*^9}, { 3.56822551694409*^9, 3.5682255297205124`*^9}, {3.568225573197789*^9, 3.5682255809666023`*^9}, 3.568225660698343*^9, 3.5682257301964645`*^9, { 3.568225765078126*^9, 3.5682257828933573`*^9}, {3.568225927026843*^9, 3.568225927416844*^9}, {3.568267062420238*^9, 3.568267081358671*^9}, { 3.568267188328059*^9, 3.5682672830358257`*^9}, {3.5682676367040462`*^9, 3.568267747979042*^9}, 3.5682678404716043`*^9, 3.568267882030078*^9, { 3.5682679252577534`*^9, 3.568267996612279*^9}, {3.5682680488879704`*^9, 3.568268061133992*^9}, {3.568268100914062*^9, 3.5682681150944867`*^9}, { 3.5682681672609787`*^9, 3.5682681709113846`*^9}, {3.568268272904364*^9, 3.5682683182536435`*^9}, {3.5682685202739983`*^9, 3.568268599194537*^9}, { 3.5682686348873997`*^9, 3.568268637773405*^9}, {3.5682686944951043`*^9, 3.568268872273017*^9}, {3.5682689420207396`*^9, 3.568269016947671*^9}, { 3.5682695040741262`*^9, 3.568269601153097*^9}, {3.5682696652380095`*^9, 3.5682696728352227`*^9}, {3.5682697489633565`*^9, 3.5682698308635006`*^9}, {3.568271156491429*^9, 3.568271160063835*^9}, { 3.568271244927984*^9, 3.568271369010602*^9}, {3.5682716250070515`*^9, 3.5682717312276382`*^9}, {3.5682717843301315`*^9, 3.5682718576814604`*^9}, {3.568271940673606*^9, 3.5682720536490045`*^9}, { 3.5682722259669075`*^9, 3.5682723223126764`*^9}, {3.568272370813162*^9, 3.568272411466833*^9}, {3.5682725893539457`*^9, 3.568272622238803*^9}, { 3.5682726936713285`*^9, 3.5682726960113325`*^9}, {3.568272741079812*^9, 3.56827275143823*^9}, {3.5682729218373294`*^9, 3.568272991070251*^9}, { 3.5682734285574193`*^9, 3.5682734302890224`*^9}, {3.5682734898811274`*^9, 3.5682735111595645`*^9}, {3.5682736115925407`*^9, 3.5682736313577757`*^9}, {3.5682738601945777`*^9, 3.568273987272401*^9}, { 3.5682763944346285`*^9, 3.5682764313910933`*^9}, 3.5682765128232365`*^9, { 3.5682766527398825`*^9, 3.568276660976697*^9}, {3.5682774496048822`*^9, 3.568277461663703*^9}, {3.5683784032731285`*^9, 3.568378422991563*^9}, { 3.568378459308427*^9, 3.5683784812420654`*^9}, {3.568378513440522*^9, 3.568378867046343*^9}, {3.568378915468828*^9, 3.56837896203491*^9}, { 3.5683790764299107`*^9, 3.568379270041851*^9}, {3.568380233530743*^9, 3.568380234388745*^9}, 3.5683804214954734`*^9, 3.568380471867962*^9, 3.5683805399464817`*^9, {3.5683812396077104`*^9, 3.568381293537005*^9}, { 3.568381339541486*^9, 3.5683813935175805`*^9}, 3.5684646396646404`*^9, 3.5684646988823442`*^9, 3.568465086387025*^9, {3.5684655859935026`*^9, 3.568465605087936*^9}, 3.568821235038273*^9, 3.5688233741452303`*^9, 3.568823449742963*^9, 3.5688274593312387`*^9, {3.5688284679978104`*^9, 3.5688284689026117`*^9}, {3.5688285131598897`*^9, 3.5688285201487017`*^9}, 3.5688285866360188`*^9, {3.5688292397623663`*^9, 3.568829246688778*^9}, { 3.5688780328231993`*^9, 3.56887811871695*^9}, {3.568895331556566*^9, 3.5688953367201753`*^9}, 3.568895995276532*^9, {3.5693397032225895`*^9, 3.56933970331619*^9}, 3.569339737137049*^9, 3.569340055299608*^9, 3.569389360947892*^9, {3.570298060155057*^9, 3.570298071589877*^9}, { 3.5704539766451664`*^9, 3.5704539773627677`*^9}, {3.5709509139026003`*^9, 3.570950950500265*^9}, {3.570950995397144*^9, 3.5709510449896307`*^9}, { 3.570974064815357*^9, 3.5709741190878525`*^9}, {3.5709742487084804`*^9, 3.570974273528124*^9}, {3.5713747544125347`*^9, 3.571374762618149*^9}, 3.5713830670175667`*^9}], Cell[BoxData[{ RowBox[{ RowBox[{"wxh", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{ RowBox[{ RowBox[{ RowBox[{"(", RowBox[{ RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "3"}], "]"}], "]"}], "+", RowBox[{"u2", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "2"}], "]"}], "]"}], "]"}], "]"}]}], ")"}], "/", RowBox[{"(", RowBox[{ RowBox[{"u2", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "]"}], "]"}], "+", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "3"}], "]"}], "]"}], "+", RowBox[{"u2", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "2"}], "]"}], "]"}], "]"}], "]"}]}], ")"}]}], "*", RowBox[{"(", RowBox[{ RowBox[{"x", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "]"}], "]"}], "-", RowBox[{"x", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "2"}], "]"}], "]"}], "]"}], "]"}]}], ")"}]}], "+", RowBox[{"x", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "2"}], "]"}], "]"}], "]"}], "]"}]}], ",", RowBox[{"{", RowBox[{"i", ",", RowBox[{"cw", "+", "1"}], ",", "nb"}], "}"}]}], "]"}]}], ";"}], "\n", RowBox[{ RowBox[{"wyh", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{ RowBox[{ RowBox[{ RowBox[{"(", RowBox[{ RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "3"}], "]"}], "]"}], "+", RowBox[{"u2", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "2"}], "]"}], "]"}], "]"}], "]"}]}], ")"}], "/", RowBox[{"(", RowBox[{ RowBox[{"u2", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "]"}], "]"}], "+", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "3"}], "]"}], "]"}], "+", RowBox[{"u2", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "2"}], "]"}], "]"}], "]"}], "]"}]}], ")"}]}], "*", RowBox[{"(", RowBox[{ RowBox[{"y", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "]"}], "]"}], "-", RowBox[{"y", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "2"}], "]"}], "]"}], "]"}], "]"}]}], ")"}]}], "+", RowBox[{"y", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "2"}], "]"}], "]"}], "]"}], "]"}]}], ",", RowBox[{"{", RowBox[{"i", ",", RowBox[{"cw", "+", "1"}], ",", "nb"}], "}"}]}], "]"}]}], ";"}], "\n", RowBox[{ RowBox[{"wzh", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{ RowBox[{ RowBox[{ RowBox[{"(", RowBox[{ RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "3"}], "]"}], "]"}], "+", RowBox[{"u2", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "2"}], "]"}], "]"}], "]"}], "]"}]}], ")"}], "/", RowBox[{"(", RowBox[{ RowBox[{"u2", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "]"}], "]"}], "+", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "3"}], "]"}], "]"}], "+", RowBox[{"u2", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "2"}], "]"}], "]"}], "]"}], "]"}]}], ")"}]}], "*", RowBox[{"(", RowBox[{ RowBox[{"z", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "]"}], "]"}], "-", RowBox[{"z", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "2"}], "]"}], "]"}], "]"}], "]"}]}], ")"}]}], "+", RowBox[{"z", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "2"}], "]"}], "]"}], "]"}], "]"}]}], ",", RowBox[{"{", RowBox[{"i", ",", RowBox[{"cw", "+", "1"}], ",", "nb"}], "}"}]}], "]"}]}], ";"}]}], "Input", CellChangeTimes->{{3.5681365021632137`*^9, 3.5681365171392403`*^9}, { 3.568136560351316*^9, 3.5681365863097615`*^9}, {3.5681369135895367`*^9, 3.5681369265999594`*^9}, {3.568137821916732*^9, 3.5681378378443604`*^9}, { 3.5682072492149415`*^9, 3.5682072529901485`*^9}, 3.568209802830227*^9, { 3.5682216503836985`*^9, 3.5682217583046885`*^9}, {3.5682217912831464`*^9, 3.568221843465238*^9}, {3.5682219760654707`*^9, 3.5682221133457117`*^9}, { 3.568222159615393*^9, 3.5682221693498106`*^9}, {3.5682222565227633`*^9, 3.5682222578487663`*^9}, 3.5682224736283445`*^9, 3.5682227227607822`*^9, 3.5682227558640404`*^9, {3.568222818810151*^9, 3.5682228486062036`*^9}, { 3.5682230057764797`*^9, 3.5682230079916835`*^9}, {3.568223041952943*^9, 3.5682230548229656`*^9}, 3.5682232619601297`*^9, 3.5682233000709963`*^9, { 3.568223536645412*^9, 3.5682235381118145`*^9}, {3.568223591151908*^9, 3.568223591526308*^9}, {3.5682236491528096`*^9, 3.568223657483224*^9}, { 3.568223713222122*^9, 3.5682237532361927`*^9}, {3.568223800379475*^9, 3.568223827648323*^9}, {3.5682238887380304`*^9, 3.5682238893152313`*^9}, { 3.5682240287170763`*^9, 3.5682240612431335`*^9}, 3.5682241088076167`*^9, { 3.568224198772975*^9, 3.5682242396450467`*^9}, {3.568224282170721*^9, 3.5682243185031853`*^9}, {3.568224437890195*^9, 3.568224439590598*^9}, { 3.568224572253231*^9, 3.5682245867144566`*^9}, {3.5682247081762695`*^9, 3.568224733557514*^9}, {3.56822480520844*^9, 3.5682248433505073`*^9}, { 3.568224884206979*^9, 3.5682248959069996`*^9}, {3.568224982830352*^9, 3.5682250047639904`*^9}, {3.56822503870965*^9, 3.5682250803305235`*^9}, { 3.5682251223413973`*^9, 3.568225141451431*^9}, {3.568225234177994*^9, 3.5682252929588966`*^9}, {3.5682253775890455`*^9, 3.568225482140429*^9}, { 3.56822551694409*^9, 3.5682255297205124`*^9}, {3.568225573197789*^9, 3.5682255809666023`*^9}, 3.568225660698343*^9, 3.5682257301964645`*^9, { 3.568225765078126*^9, 3.5682257828933573`*^9}, {3.568225927026843*^9, 3.568225927416844*^9}, {3.568267062420238*^9, 3.568267081358671*^9}, { 3.568267188328059*^9, 3.5682672830358257`*^9}, {3.5682676367040462`*^9, 3.568267747979042*^9}, 3.5682678404716043`*^9, 3.568267882030078*^9, { 3.5682679252577534`*^9, 3.568267996612279*^9}, {3.5682680488879704`*^9, 3.568268061133992*^9}, {3.568268100914062*^9, 3.5682681150944867`*^9}, { 3.5682681672609787`*^9, 3.5682681709113846`*^9}, {3.568268272904364*^9, 3.5682683182536435`*^9}, {3.5682685202739983`*^9, 3.568268599194537*^9}, { 3.5682686348873997`*^9, 3.568268637773405*^9}, {3.5682686944951043`*^9, 3.568268872273017*^9}, {3.5682689420207396`*^9, 3.568269016947671*^9}, { 3.5682695040741262`*^9, 3.568269601153097*^9}, {3.5682696652380095`*^9, 3.5682696728352227`*^9}, {3.5682697489633565`*^9, 3.5682698308635006`*^9}, {3.568271156491429*^9, 3.568271160063835*^9}, { 3.568271244927984*^9, 3.568271369010602*^9}, {3.5682716250070515`*^9, 3.5682717312276382`*^9}, {3.5682717843301315`*^9, 3.5682718576814604`*^9}, {3.568271940673606*^9, 3.5682720536490045`*^9}, { 3.5682722259669075`*^9, 3.5682723223126764`*^9}, {3.568272370813162*^9, 3.568272411466833*^9}, {3.5682725893539457`*^9, 3.568272622238803*^9}, { 3.5682726936713285`*^9, 3.5682726960113325`*^9}, {3.568272741079812*^9, 3.56827275143823*^9}, {3.5682729218373294`*^9, 3.568272991070251*^9}, { 3.5682734285574193`*^9, 3.5682734302890224`*^9}, {3.5682734898811274`*^9, 3.5682735111595645`*^9}, {3.5682736115925407`*^9, 3.5682736313577757`*^9}, {3.5682738601945777`*^9, 3.568273987272401*^9}, { 3.5682763944346285`*^9, 3.5682764313910933`*^9}, 3.5682765128232365`*^9, { 3.5682766527398825`*^9, 3.568276660976697*^9}, {3.5682774496048822`*^9, 3.568277461663703*^9}, {3.5683784032731285`*^9, 3.568378422991563*^9}, { 3.568378459308427*^9, 3.5683784812420654`*^9}, {3.568378513440522*^9, 3.568378867046343*^9}, {3.568378915468828*^9, 3.56837896203491*^9}, { 3.5683790764299107`*^9, 3.568379270041851*^9}, {3.568380233530743*^9, 3.568380234388745*^9}, 3.5683804214954734`*^9, 3.568380471867962*^9, 3.5683805399464817`*^9, {3.5683812396077104`*^9, 3.568381293537005*^9}, { 3.568381339541486*^9, 3.5683813935175805`*^9}, 3.5684646396646404`*^9, 3.5684646988823442`*^9, 3.568465086387025*^9, {3.5684655859935026`*^9, 3.568465605087936*^9}, 3.568821235038273*^9, 3.5688233741452303`*^9, 3.568823449742963*^9, 3.5688274593312387`*^9, {3.5688284679978104`*^9, 3.5688284689026117`*^9}, {3.5688285131598897`*^9, 3.5688285201487017`*^9}, 3.5688285866360188`*^9, {3.5688292397623663`*^9, 3.568829246688778*^9}, { 3.5688780328231993`*^9, 3.5688781280925665`*^9}, 3.568895312524533*^9, 3.5693395940691977`*^9, {3.5693396336776676`*^9, 3.5693396557829065`*^9}, { 3.569340069402033*^9, 3.569340092412073*^9}, {3.569389186383586*^9, 3.5693891947764006`*^9}, {3.569389263291721*^9, 3.569389289686967*^9}, 3.569389336315449*^9}], Cell[BoxData[ RowBox[{ RowBox[{"Plot8", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"Graphics3D", "[", RowBox[{"{", RowBox[{ RowBox[{"Opacity", "[", "0.5", "]"}], ",", RowBox[{"Sphere", "[", RowBox[{ RowBox[{"{", RowBox[{ RowBox[{"wxh", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"wyh", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"wzh", "[", RowBox[{"[", "i", "]"}], "]"}]}], "}"}], ",", RowBox[{"a", "[", RowBox[{"[", RowBox[{ RowBox[{"i", "+", "cw"}], ",", "3"}], "]"}], "]"}]}], "]"}]}], "}"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "bh"}], "}"}]}], "]"}]}], ";"}]], "Input", CellChangeTimes->{{3.5681365021632137`*^9, 3.5681365171392403`*^9}, { 3.568136560351316*^9, 3.5681365863097615`*^9}, {3.5681369135895367`*^9, 3.5681369265999594`*^9}, {3.568137821916732*^9, 3.5681378378443604`*^9}, { 3.5682072492149415`*^9, 3.5682072529901485`*^9}, 3.568209802830227*^9, { 3.5682216503836985`*^9, 3.5682217583046885`*^9}, {3.5682217912831464`*^9, 3.568221843465238*^9}, {3.5682219760654707`*^9, 3.5682221133457117`*^9}, { 3.568222159615393*^9, 3.5682221693498106`*^9}, {3.5682222565227633`*^9, 3.5682222578487663`*^9}, 3.5682224736283445`*^9, 3.5682227227607822`*^9, 3.5682227558640404`*^9, {3.568222818810151*^9, 3.5682228486062036`*^9}, { 3.5682230057764797`*^9, 3.5682230079916835`*^9}, {3.568223041952943*^9, 3.5682230548229656`*^9}, 3.5682232619601297`*^9, 3.5682233000709963`*^9, { 3.568223536645412*^9, 3.5682235381118145`*^9}, {3.568223591151908*^9, 3.568223591526308*^9}, {3.5682236491528096`*^9, 3.568223657483224*^9}, { 3.568223713222122*^9, 3.5682237532361927`*^9}, {3.568223800379475*^9, 3.568223827648323*^9}, {3.5682238887380304`*^9, 3.5682238893152313`*^9}, { 3.5682240287170763`*^9, 3.5682240612431335`*^9}, 3.5682241088076167`*^9, { 3.568224198772975*^9, 3.5682242396450467`*^9}, {3.568224282170721*^9, 3.5682243185031853`*^9}, {3.568224437890195*^9, 3.568224439590598*^9}, { 3.568224572253231*^9, 3.5682245867144566`*^9}, {3.5682247081762695`*^9, 3.568224733557514*^9}, {3.56822480520844*^9, 3.5682248433505073`*^9}, { 3.568224884206979*^9, 3.5682248959069996`*^9}, {3.568224982830352*^9, 3.5682250047639904`*^9}, {3.56822503870965*^9, 3.5682250803305235`*^9}, { 3.5682251223413973`*^9, 3.568225141451431*^9}, {3.568225234177994*^9, 3.5682252929588966`*^9}, {3.5682253775890455`*^9, 3.568225482140429*^9}, { 3.56822551694409*^9, 3.5682255297205124`*^9}, {3.568225573197789*^9, 3.5682255809666023`*^9}, 3.568225660698343*^9, 3.5682257301964645`*^9, { 3.568225765078126*^9, 3.5682257828933573`*^9}, {3.568225927026843*^9, 3.568225927416844*^9}, {3.568267062420238*^9, 3.568267081358671*^9}, { 3.568267188328059*^9, 3.5682672830358257`*^9}, {3.5682676367040462`*^9, 3.568267747979042*^9}, 3.5682678404716043`*^9, 3.568267882030078*^9, { 3.5682679252577534`*^9, 3.568267996612279*^9}, {3.5682680488879704`*^9, 3.568268061133992*^9}, {3.568268100914062*^9, 3.5682681150944867`*^9}, { 3.5682681672609787`*^9, 3.5682681709113846`*^9}, {3.568268272904364*^9, 3.5682683182536435`*^9}, {3.5682685202739983`*^9, 3.568268599194537*^9}, { 3.5682686348873997`*^9, 3.568268637773405*^9}, {3.5682686944951043`*^9, 3.568268872273017*^9}, {3.5682689420207396`*^9, 3.568269016947671*^9}, { 3.5682695040741262`*^9, 3.568269601153097*^9}, {3.5682696652380095`*^9, 3.5682696728352227`*^9}, {3.5682697489633565`*^9, 3.5682698308635006`*^9}, {3.568271156491429*^9, 3.568271160063835*^9}, { 3.568271244927984*^9, 3.568271369010602*^9}, {3.5682716250070515`*^9, 3.5682717312276382`*^9}, {3.5682717843301315`*^9, 3.5682718576814604`*^9}, {3.568271940673606*^9, 3.5682720536490045`*^9}, { 3.5682722259669075`*^9, 3.5682723223126764`*^9}, {3.568272370813162*^9, 3.568272411466833*^9}, {3.5682725893539457`*^9, 3.568272622238803*^9}, { 3.5682726936713285`*^9, 3.5682726960113325`*^9}, {3.568272741079812*^9, 3.56827275143823*^9}, {3.5682729218373294`*^9, 3.568272991070251*^9}, { 3.5682734285574193`*^9, 3.5682734302890224`*^9}, {3.5682734898811274`*^9, 3.5682735111595645`*^9}, {3.5682736115925407`*^9, 3.5682736313577757`*^9}, {3.5682738601945777`*^9, 3.568273987272401*^9}, { 3.5682763944346285`*^9, 3.5682764313910933`*^9}, 3.5682765128232365`*^9, { 3.5682766527398825`*^9, 3.568276660976697*^9}, {3.5682774496048822`*^9, 3.568277461663703*^9}, {3.5683784032731285`*^9, 3.568378422991563*^9}, { 3.568378459308427*^9, 3.5683784812420654`*^9}, {3.568378513440522*^9, 3.568378867046343*^9}, {3.568378915468828*^9, 3.56837896203491*^9}, { 3.5683790764299107`*^9, 3.568379270041851*^9}, {3.568380233530743*^9, 3.568380234388745*^9}, 3.5683804214954734`*^9, 3.568380471867962*^9, 3.5683805399464817`*^9, {3.5683812396077104`*^9, 3.568381293537005*^9}, { 3.568381339541486*^9, 3.5683813935175805`*^9}, 3.5684646396646404`*^9, 3.5684646988823442`*^9, 3.568465086387025*^9, {3.5684655859935026`*^9, 3.568465605087936*^9}, 3.568821235038273*^9, 3.5688233741452303`*^9, 3.568823449742963*^9, 3.5688274593312387`*^9, {3.5688284679978104`*^9, 3.5688284689026117`*^9}, {3.5688285131598897`*^9, 3.5688285201487017`*^9}, 3.5688285866360188`*^9, {3.5688292397623663`*^9, 3.568829246688778*^9}, { 3.5688780328231993`*^9, 3.568878147967001*^9}, {3.56889532230575*^9, 3.5688953242557535`*^9}, 3.56889600529175*^9, 3.5688961595292206`*^9, { 3.5693396821781526`*^9, 3.5693396825213532`*^9}, 3.5693893658151007`*^9, { 3.5693895413934093`*^9, 3.5693895427506113`*^9}, {3.5697651043452682`*^9, 3.5697651089940763`*^9}, {3.5704647001766*^9, 3.570464712141821*^9}}], Cell[BoxData[{ RowBox[{ RowBox[{"Plot8a", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"Graphics3D", "[", RowBox[{"{", RowBox[{ RowBox[{"Opacity", "[", "0.3", "]"}], ",", RowBox[{"Lighter", "[", "Cyan", "]"}], ",", RowBox[{"Sphere", "[", RowBox[{ RowBox[{"tpo", "[", RowBox[{"[", "i", "]"}], "]"}], ",", "rpo"}], "]"}]}], "}"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "cj"}], "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"Plot8b", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"Graphics3D", "[", RowBox[{"{", RowBox[{ RowBox[{"Opacity", "[", "0.3", "]"}], ",", RowBox[{"Lighter", "[", "Yellow", "]"}], ",", RowBox[{"Sphere", "[", RowBox[{ RowBox[{"tpu", "[", RowBox[{"[", "i", "]"}], "]"}], ",", "rpi"}], "]"}]}], "}"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "cj"}], "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"Plot8d", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"Graphics3D", "[", RowBox[{"{", RowBox[{ RowBox[{"Opacity", "[", "0.4", "]"}], ",", RowBox[{"Lighter", "[", "Red", "]"}], ",", RowBox[{"Sphere", "[", RowBox[{ RowBox[{"tplo", "[", RowBox[{"[", "i", "]"}], "]"}], ",", "rlo"}], "]"}]}], "}"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "oj"}], "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"Plot8e", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"Graphics3D", "[", RowBox[{"{", RowBox[{ RowBox[{"Opacity", "[", "0.4", "]"}], ",", RowBox[{"Lighter", "[", "Red", "]"}], ",", RowBox[{"Sphere", "[", RowBox[{ RowBox[{"tplu", "[", RowBox[{"[", "i", "]"}], "]"}], ",", "rlo"}], "]"}]}], "}"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "oj"}], "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"Plot8f", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"Graphics3D", "[", RowBox[{"{", RowBox[{ RowBox[{"Opacity", "[", "0.4", "]"}], ",", RowBox[{"Lighter", "[", "Red", "]"}], ",", RowBox[{"Sphere", "[", RowBox[{ RowBox[{"tpso", "[", RowBox[{"[", "i", "]"}], "]"}], ",", "rlo"}], "]"}]}], "}"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "hj"}], "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"Plot8g", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"Graphics3D", "[", RowBox[{"{", RowBox[{ RowBox[{"Opacity", "[", "0.4", "]"}], ",", RowBox[{"Lighter", "[", "Red", "]"}], ",", RowBox[{"Sphere", "[", RowBox[{ RowBox[{"tpsu", "[", RowBox[{"[", "i", "]"}], "]"}], ",", "rlo"}], "]"}]}], "}"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "hj"}], "}"}]}], "]"}]}], ";"}]}], "Input", CellChangeTimes->{{3.5681365021632137`*^9, 3.5681365171392403`*^9}, { 3.568136560351316*^9, 3.5681365863097615`*^9}, {3.5681369135895367`*^9, 3.5681369265999594`*^9}, {3.568137821916732*^9, 3.5681378378443604`*^9}, { 3.5682072492149415`*^9, 3.5682072529901485`*^9}, 3.568209802830227*^9, { 3.5682216503836985`*^9, 3.5682217583046885`*^9}, {3.5682217912831464`*^9, 3.568221843465238*^9}, {3.5682219760654707`*^9, 3.5682221133457117`*^9}, { 3.568222159615393*^9, 3.5682221693498106`*^9}, {3.5682222565227633`*^9, 3.5682222578487663`*^9}, 3.5682224736283445`*^9, 3.5682227227607822`*^9, 3.5682227558640404`*^9, {3.568222818810151*^9, 3.5682228486062036`*^9}, { 3.5682230057764797`*^9, 3.5682230079916835`*^9}, {3.568223041952943*^9, 3.5682230548229656`*^9}, 3.5682232619601297`*^9, 3.5682233000709963`*^9, { 3.568223536645412*^9, 3.5682235381118145`*^9}, {3.568223591151908*^9, 3.568223591526308*^9}, {3.5682236491528096`*^9, 3.568223657483224*^9}, { 3.568223713222122*^9, 3.5682237532361927`*^9}, {3.568223800379475*^9, 3.568223827648323*^9}, {3.5682238887380304`*^9, 3.5682238893152313`*^9}, { 3.5682240287170763`*^9, 3.5682240612431335`*^9}, 3.5682241088076167`*^9, { 3.568224198772975*^9, 3.5682242396450467`*^9}, {3.568224282170721*^9, 3.5682243185031853`*^9}, {3.568224437890195*^9, 3.568224439590598*^9}, { 3.568224572253231*^9, 3.5682245867144566`*^9}, {3.5682247081762695`*^9, 3.568224733557514*^9}, {3.56822480520844*^9, 3.5682248433505073`*^9}, { 3.568224884206979*^9, 3.5682248959069996`*^9}, {3.568224982830352*^9, 3.5682250047639904`*^9}, {3.56822503870965*^9, 3.5682250803305235`*^9}, { 3.5682251223413973`*^9, 3.568225141451431*^9}, {3.568225234177994*^9, 3.5682252929588966`*^9}, {3.5682253775890455`*^9, 3.568225482140429*^9}, { 3.56822551694409*^9, 3.5682255297205124`*^9}, {3.568225573197789*^9, 3.5682255809666023`*^9}, 3.568225660698343*^9, 3.5682257301964645`*^9, { 3.568225765078126*^9, 3.5682257828933573`*^9}, {3.568225927026843*^9, 3.568225927416844*^9}, {3.568267062420238*^9, 3.568267081358671*^9}, { 3.568267188328059*^9, 3.5682672830358257`*^9}, {3.5682676367040462`*^9, 3.568267747979042*^9}, 3.5682678404716043`*^9, 3.568267882030078*^9, { 3.5682679252577534`*^9, 3.568267996612279*^9}, {3.5682680488879704`*^9, 3.568268061133992*^9}, {3.568268100914062*^9, 3.5682681150944867`*^9}, { 3.5682681672609787`*^9, 3.5682681709113846`*^9}, {3.568268272904364*^9, 3.5682683182536435`*^9}, {3.5682685202739983`*^9, 3.568268599194537*^9}, { 3.5682686348873997`*^9, 3.568268637773405*^9}, {3.5682686944951043`*^9, 3.568268872273017*^9}, {3.5682689420207396`*^9, 3.568269016947671*^9}, { 3.5682695040741262`*^9, 3.568269601153097*^9}, {3.5682696652380095`*^9, 3.5682696728352227`*^9}, {3.5682697489633565`*^9, 3.5682698308635006`*^9}, {3.568271156491429*^9, 3.568271160063835*^9}, { 3.568271244927984*^9, 3.568271369010602*^9}, {3.5682716250070515`*^9, 3.5682717312276382`*^9}, {3.5682717843301315`*^9, 3.5682718576814604`*^9}, {3.568271940673606*^9, 3.5682720536490045`*^9}, { 3.5682722259669075`*^9, 3.5682723223126764`*^9}, {3.568272370813162*^9, 3.568272411466833*^9}, {3.5682725893539457`*^9, 3.568272622238803*^9}, { 3.5682726936713285`*^9, 3.5682726960113325`*^9}, {3.568272741079812*^9, 3.56827275143823*^9}, {3.5682729218373294`*^9, 3.568272991070251*^9}, { 3.5682734285574193`*^9, 3.5682734302890224`*^9}, {3.5682734898811274`*^9, 3.5682735111595645`*^9}, {3.5682736115925407`*^9, 3.5682736313577757`*^9}, {3.5682738601945777`*^9, 3.568273987272401*^9}, { 3.5682763944346285`*^9, 3.5682764313910933`*^9}, 3.5682765128232365`*^9, { 3.5682766527398825`*^9, 3.568276660976697*^9}, {3.5682774496048822`*^9, 3.568277461663703*^9}, {3.5683784032731285`*^9, 3.568378422991563*^9}, { 3.568378459308427*^9, 3.5683784812420654`*^9}, {3.568378513440522*^9, 3.568378867046343*^9}, {3.568378915468828*^9, 3.56837896203491*^9}, { 3.5683790764299107`*^9, 3.568379270041851*^9}, {3.568380233530743*^9, 3.568380234388745*^9}, 3.5683804214954734`*^9, 3.568380471867962*^9, 3.5683805399464817`*^9, {3.5683812396077104`*^9, 3.568381293537005*^9}, { 3.568381339541486*^9, 3.568381420224828*^9}, {3.5684645223056345`*^9, 3.5684645572340956`*^9}, {3.5684651558539467`*^9, 3.5684651618911576`*^9}, {3.5688209923798466`*^9, 3.568820997683856*^9}, { 3.568821158754139*^9, 3.568821160750942*^9}, 3.56882222404881*^9, { 3.568822649274357*^9, 3.5688226508031597`*^9}, 3.568822723109287*^9, { 3.5693397221142225`*^9, 3.5693397223326235`*^9}, {3.5693899272912874`*^9, 3.5693899274472876`*^9}, {3.5693910617720795`*^9, 3.5693910848757205`*^9}, 3.5693911374166126`*^9, {3.569391214402748*^9, 3.5693912147147484`*^9}, 3.569391451944365*^9, {3.569391487793228*^9, 3.569391507620863*^9}, { 3.5693923162258854`*^9, 3.5693923173958874`*^9}, {3.569406068526634*^9, 3.569406086092265*^9}, 3.569690172138941*^9, 3.569780036185542*^9, { 3.570453906913044*^9, 3.5704539079894457`*^9}, {3.570454575670618*^9, 3.5704545899602437`*^9}, {3.570454765008151*^9, 3.570454772277764*^9}, 3.5708553779481487`*^9, {3.5709431726830034`*^9, 3.570943174555007*^9}, { 3.5709495710522423`*^9, 3.5709495907082767`*^9}, {3.570949647617176*^9, 3.570949673138821*^9}, {3.570950759321929*^9, 3.5709507772775607`*^9}, { 3.5709508127364225`*^9, 3.5709508405200715`*^9}, {3.570991123104905*^9, 3.570991124259307*^9}, {3.5709912161278687`*^9, 3.570991227937089*^9}, { 3.5709912804155817`*^9, 3.570991308776431*^9}, {3.5709914026885962`*^9, 3.5709914215490294`*^9}, {3.570991574429298*^9, 3.5709916038821497`*^9}, 3.570991652445035*^9, 3.570991830004547*^9, 3.570991865276209*^9, { 3.5709919181759014`*^9, 3.5709919260539155`*^9}, {3.570992027251293*^9, 3.570992050058533*^9}, 3.5709920901350036`*^9, 3.570992186979974*^9, { 3.57122255431676*^9, 3.5712225562355638`*^9}, 3.571223175338251*^9, { 3.5713153738729277`*^9, 3.571315375682531*^9}, 3.5713224026962075`*^9, { 3.5713224627875133`*^9, 3.5713224654863176`*^9}, {3.5713224965147724`*^9, 3.571322572268505*^9}, {3.5713226259637995`*^9, 3.5713226549330506`*^9}, { 3.5713308245340652`*^9, 3.571330884469371*^9}, {3.5713309160126257`*^9, 3.5713309422674723`*^9}, 3.571331071326499*^9, {3.5713311246629925`*^9, 3.5713311332274075`*^9}, {3.571331300334901*^9, 3.5713313470881834`*^9}, 3.5713314298931284`*^9, 3.571331594130217*^9, {3.571331632849485*^9, 3.5713316334578857`*^9}, {3.5713316704299507`*^9, 3.5713316709447517`*^9}, {3.571331783327349*^9, 3.571331790019761*^9}, { 3.5713319475956383`*^9, 3.571331948360039*^9}, {3.5713326567416835`*^9, 3.571332681717327*^9}, {3.571332736801024*^9, 3.571332753305853*^9}, { 3.571332796221528*^9, 3.5713328475768185`*^9}, {3.571332914344936*^9, 3.571332924672154*^9}, {3.5713330072586994`*^9, 3.5713330320471425`*^9}, { 3.5713330798612266`*^9, 3.5713330883320417`*^9}, {3.5713331731961904`*^9, 3.571333178266199*^9}, {3.571333407851803*^9, 3.571333426837036*^9}, { 3.571333542292839*^9, 3.571333557705666*^9}, {3.5713336117441607`*^9, 3.5713337055939255`*^9}, {3.5713337750608473`*^9, 3.571333798070888*^9}, { 3.5713366694988756`*^9, 3.5713366834765005`*^9}, {3.5713369716090064`*^9, 3.57133697359021*^9}, {3.57138272164856*^9, 3.571382756233821*^9}, { 3.57138283537276*^9, 3.571382866900415*^9}, {3.5713829070080853`*^9, 3.5713829086616883`*^9}, {3.571382939175342*^9, 3.5713830233374896`*^9}, { 3.5713831045200324`*^9, 3.571383106126835*^9}, {3.571383198260597*^9, 3.5713832448422785`*^9}, 3.5716785972796593`*^9, 3.5718167268987517`*^9, { 3.571838452469782*^9, 3.5718386879053955`*^9}, {3.571838766139532*^9, 3.571838773908346*^9}, 3.5718388425484667`*^9, {3.571838961763876*^9, 3.571838969236289*^9}, {3.571839027970392*^9, 3.5718390313399982`*^9}, { 3.571839741203645*^9, 3.5718397450100517`*^9}, {3.572538612521628*^9, 3.572538701894185*^9}, {3.572538746213863*^9, 3.572538844837236*^9}, 3.5725397817592816`*^9, {3.5726093687611146`*^9, 3.5726094120667906`*^9}, { 3.5726201406133776`*^9, 3.5726201439517837`*^9}, {3.5726204342214937`*^9, 3.572620455406331*^9}, {3.5726210034788933`*^9, 3.572621009968505*^9}, { 3.5728421659278097`*^9, 3.5728422874676228`*^9}, {3.572844941796685*^9, 3.57284494451109*^9}, {3.572850660423529*^9, 3.5728506878327775`*^9}, 3.5731240021791506`*^9, {3.573124038683215*^9, 3.57312404156922*^9}, 3.5731241655738378`*^9, {3.573150838242284*^9, 3.5731508464166985`*^9}, { 3.5732110436990156`*^9, 3.573211066116255*^9}, {3.573212991206436*^9, 3.573213000894053*^9}, {3.573213104540635*^9, 3.573213182462772*^9}, { 3.5732202689099436`*^9, 3.573220322745638*^9}, {3.573220354086093*^9, 3.5732203696081204`*^9}, {3.573220402914179*^9, 3.573220410448992*^9}, { 3.5746631320730405`*^9, 3.574663233114418*^9}, {3.5746640424906397`*^9, 3.574664047560649*^9}, {3.5746708183720207`*^9, 3.574670838917257*^9}, { 3.5747409576711226`*^9, 3.574740975720354*^9}, {3.5747864634781103`*^9, 3.5747864662861156`*^9}, {3.574786586827527*^9, 3.574786630445204*^9}, { 3.574786972070204*^9, 3.5747869752838097`*^9}, {3.5748281512990437`*^9, 3.5748281556358514`*^9}}], Cell[BoxData[{ RowBox[{ RowBox[{"Plot9", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{"Graphics3D", "[", RowBox[{"{", RowBox[{ RowBox[{"Lighter", "[", RowBox[{"Orange", ",", "0.5"}], "]"}], ",", RowBox[{"Tube", "[", RowBox[{ RowBox[{"{", RowBox[{ RowBox[{"{", RowBox[{ RowBox[{"x", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "]"}], "]"}], ",", RowBox[{"y", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "]"}], "]"}], ",", RowBox[{"z", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "]"}], "]"}]}], "}"}], ",", RowBox[{"{", RowBox[{ RowBox[{"x", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "2"}], "]"}], "]"}], "]"}], "]"}], ",", RowBox[{"y", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "2"}], "]"}], "]"}], "]"}], "]"}], ",", RowBox[{"z", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "2"}], "]"}], "]"}], "]"}], "]"}]}], "}"}]}], "}"}], ",", "0.15"}], "]"}]}], "}"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "nb"}], "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"Plot9a", "=", " ", RowBox[{"Graphics3D", "[", RowBox[{"Tube", "[", RowBox[{ RowBox[{"{", RowBox[{ RowBox[{"{", RowBox[{ RowBox[{"x", "[", RowBox[{"[", "21", "]"}], "]"}], ",", RowBox[{"y", "[", RowBox[{"[", "21", "]"}], "]"}], ",", RowBox[{"z", "[", RowBox[{"[", "21", "]"}], "]"}]}], "}"}], ",", RowBox[{"{", RowBox[{ RowBox[{"nk", "[", RowBox[{"[", RowBox[{"2", ",", "1"}], "]"}], "]"}], ",", RowBox[{"nk", "[", RowBox[{"[", RowBox[{"2", ",", "2"}], "]"}], "]"}], ",", RowBox[{"nk", "[", RowBox[{"[", RowBox[{"2", ",", "3"}], "]"}], "]"}]}], "}"}]}], "}"}], ",", "0.06"}], "]"}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"Plot9b", "=", " ", RowBox[{"Graphics3D", "[", RowBox[{"Tube", "[", RowBox[{ RowBox[{"{", RowBox[{ RowBox[{"{", RowBox[{ RowBox[{"x", "[", RowBox[{"[", "21", "]"}], "]"}], ",", RowBox[{"y", "[", RowBox[{"[", "21", "]"}], "]"}], ",", RowBox[{"z", "[", RowBox[{"[", "21", "]"}], "]"}]}], "}"}], ",", RowBox[{"{", RowBox[{ RowBox[{"nl", "[", RowBox[{"[", RowBox[{"2", ",", "1"}], "]"}], "]"}], ",", RowBox[{"nl", "[", RowBox[{"[", RowBox[{"2", ",", "2"}], "]"}], "]"}], ",", RowBox[{"nl", "[", RowBox[{"[", RowBox[{"2", ",", "3"}], "]"}], "]"}]}], "}"}]}], "}"}], ",", "0.06"}], "]"}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{"Show", "[", RowBox[{"Plot1o", ",", RowBox[{"(*", RowBox[{"Plot2", ","}], "*)"}], "Plot7", ",", "Plot8", ",", "Plot8a", ",", "Plot8b", ",", "Plot8d", ",", "Plot8e", ",", "Plot8f", ",", "Plot8g", ",", "Plot9", ",", RowBox[{"{", RowBox[{ RowBox[{"AspectRatio", "\[Rule]", "Automatic"}], ",", RowBox[{"Boxed", "\[Rule]", "False"}], ",", RowBox[{"(*", " ", RowBox[{ RowBox[{"Axes", "\[Rule]", "Automatic"}], ",", RowBox[{"AxesLabel", "\[Rule]", RowBox[{"{", RowBox[{"xl", ",", "yl", ",", "zl"}], "}"}]}], ","}], "*)"}], RowBox[{"SphericalRegion", "\[Rule]", "True"}]}], "}"}]}], "]"}], "\[IndentingNewLine]", RowBox[{"Show", "[", RowBox[{"Plot1o", ",", "Plot2", ",", "Plot9", ",", RowBox[{"(*", RowBox[{"Plot9a", ",", "Plot9b", ","}], "*)"}], RowBox[{"{", RowBox[{ RowBox[{"Axes", "\[Rule]", "Automatic"}], ",", RowBox[{"AxesLabel", "\[Rule]", RowBox[{"{", RowBox[{"xl", ",", "yl", ",", "zl"}], "}"}]}], ",", RowBox[{"AspectRatio", "\[Rule]", "Automatic"}], ",", RowBox[{"Boxed", "\[Rule]", "True"}], ",", " ", RowBox[{"SphericalRegion", "\[Rule]", "True"}]}], "}"}]}], "]"}], "\[IndentingNewLine]", RowBox[{"Show", "[", RowBox[{"Plot1o", ",", "Plot2", ",", "Plot7", ",", "Plot8", ",", RowBox[{"{", RowBox[{ RowBox[{"Axes", "\[Rule]", "Automatic"}], ",", RowBox[{"AxesLabel", "\[Rule]", RowBox[{"{", RowBox[{"xl", ",", "yl", ",", "zl"}], "}"}]}], ",", RowBox[{"AspectRatio", "\[Rule]", "Automatic"}], ",", RowBox[{"Boxed", "\[Rule]", "True"}], ",", " ", RowBox[{"SphericalRegion", "\[Rule]", "True"}]}], "}"}]}], "]"}], "\[IndentingNewLine]", RowBox[{"Show", "[", RowBox[{"Plot1o", ",", "Plot2", ",", "Plot8a", ",", "Plot8b", ",", RowBox[{"{", RowBox[{ RowBox[{"Axes", "\[Rule]", "Automatic"}], ",", RowBox[{"AxesLabel", "\[Rule]", RowBox[{"{", RowBox[{"xl", ",", "yl", ",", "zl"}], "}"}]}], ",", RowBox[{"AspectRatio", "\[Rule]", "Automatic"}], ",", RowBox[{"Boxed", "\[Rule]", "True"}], ",", " ", RowBox[{"SphericalRegion", "\[Rule]", "True"}]}], "}"}]}], "]"}], "\[IndentingNewLine]", RowBox[{"Show", "[", RowBox[{"Plot1o", ",", "Plot2", ",", RowBox[{"(*", RowBox[{"Plot8c", ","}], "*)"}], "Plot8d", ",", "Plot8e", ",", "Plot8f", ",", "Plot8g", ",", RowBox[{"{", RowBox[{ RowBox[{"Axes", "\[Rule]", "Automatic"}], ",", RowBox[{"AxesLabel", "\[Rule]", RowBox[{"{", RowBox[{"xl", ",", "yl", ",", "zl"}], "}"}]}], ",", RowBox[{"AspectRatio", "\[Rule]", "Automatic"}], ",", RowBox[{"Boxed", "\[Rule]", "True"}], ",", " ", RowBox[{"SphericalRegion", "\[Rule]", "True"}]}], "}"}]}], "]"}]}], "Input", CellChangeTimes->{{3.5681365021632137`*^9, 3.5681365171392403`*^9}, { 3.568136560351316*^9, 3.5681365863097615`*^9}, {3.5681369135895367`*^9, 3.5681369265999594`*^9}, {3.568137821916732*^9, 3.5681378378443604`*^9}, { 3.5682072492149415`*^9, 3.5682072529901485`*^9}, 3.568209802830227*^9, { 3.5682216503836985`*^9, 3.5682217583046885`*^9}, {3.5682217912831464`*^9, 3.568221843465238*^9}, {3.5682219760654707`*^9, 3.5682221133457117`*^9}, { 3.568222159615393*^9, 3.5682221693498106`*^9}, {3.5682222565227633`*^9, 3.5682222578487663`*^9}, 3.5682224736283445`*^9, 3.5682227227607822`*^9, 3.5682227558640404`*^9, {3.568222818810151*^9, 3.5682228486062036`*^9}, { 3.5682230057764797`*^9, 3.5682230079916835`*^9}, {3.568223041952943*^9, 3.5682230548229656`*^9}, 3.5682232619601297`*^9, 3.5682233000709963`*^9, { 3.568223536645412*^9, 3.5682235381118145`*^9}, {3.568223591151908*^9, 3.568223591526308*^9}, {3.5682236491528096`*^9, 3.568223657483224*^9}, { 3.568223713222122*^9, 3.5682237532361927`*^9}, {3.568223800379475*^9, 3.568223827648323*^9}, {3.5682238887380304`*^9, 3.5682238893152313`*^9}, { 3.5682240287170763`*^9, 3.5682240612431335`*^9}, 3.5682241088076167`*^9, { 3.568224198772975*^9, 3.5682242396450467`*^9}, {3.568224282170721*^9, 3.5682243185031853`*^9}, {3.568224437890195*^9, 3.568224439590598*^9}, { 3.568224572253231*^9, 3.5682245867144566`*^9}, {3.5682247081762695`*^9, 3.568224733557514*^9}, {3.56822480520844*^9, 3.5682248433505073`*^9}, { 3.568224884206979*^9, 3.5682248959069996`*^9}, {3.568224982830352*^9, 3.5682250047639904`*^9}, {3.56822503870965*^9, 3.5682250803305235`*^9}, { 3.5682251223413973`*^9, 3.568225141451431*^9}, {3.568225234177994*^9, 3.5682252929588966`*^9}, {3.5682253775890455`*^9, 3.568225482140429*^9}, { 3.56822551694409*^9, 3.5682255297205124`*^9}, {3.568225573197789*^9, 3.5682255809666023`*^9}, 3.568225660698343*^9, 3.5682257301964645`*^9, { 3.568225765078126*^9, 3.5682257828933573`*^9}, {3.568225927026843*^9, 3.568225927416844*^9}, {3.568267062420238*^9, 3.568267081358671*^9}, { 3.568267188328059*^9, 3.5682672830358257`*^9}, {3.5682676367040462`*^9, 3.568267747979042*^9}, 3.5682678404716043`*^9, 3.568267882030078*^9, { 3.5682679252577534`*^9, 3.568267996612279*^9}, {3.5682680488879704`*^9, 3.568268061133992*^9}, {3.568268100914062*^9, 3.5682681150944867`*^9}, { 3.5682681672609787`*^9, 3.5682681709113846`*^9}, {3.568268272904364*^9, 3.5682683182536435`*^9}, {3.5682685202739983`*^9, 3.568268599194537*^9}, { 3.5682686348873997`*^9, 3.568268637773405*^9}, {3.5682686944951043`*^9, 3.568268872273017*^9}, {3.5682689420207396`*^9, 3.568269016947671*^9}, { 3.5682695040741262`*^9, 3.568269601153097*^9}, {3.5682696652380095`*^9, 3.5682696728352227`*^9}, {3.5682697489633565`*^9, 3.5682698308635006`*^9}, {3.568271156491429*^9, 3.568271160063835*^9}, { 3.568271244927984*^9, 3.568271369010602*^9}, {3.5682716250070515`*^9, 3.5682717312276382`*^9}, {3.5682717843301315`*^9, 3.5682718576814604`*^9}, {3.568271940673606*^9, 3.5682720536490045`*^9}, { 3.5682722259669075`*^9, 3.5682723223126764`*^9}, {3.568272370813162*^9, 3.568272411466833*^9}, {3.5682725893539457`*^9, 3.568272622238803*^9}, { 3.5682726936713285`*^9, 3.5682726960113325`*^9}, {3.568272741079812*^9, 3.56827275143823*^9}, {3.5682729218373294`*^9, 3.568272991070251*^9}, { 3.5682734285574193`*^9, 3.5682734302890224`*^9}, {3.5682734898811274`*^9, 3.5682735111595645`*^9}, {3.5682736115925407`*^9, 3.5682736313577757`*^9}, {3.5682738601945777`*^9, 3.568273987272401*^9}, { 3.5682763944346285`*^9, 3.5682764313910933`*^9}, 3.5682765128232365`*^9, { 3.5682766527398825`*^9, 3.568276660976697*^9}, {3.5682774496048822`*^9, 3.568277461663703*^9}, {3.5683784032731285`*^9, 3.568378422991563*^9}, { 3.568378459308427*^9, 3.5683784812420654`*^9}, {3.568378513440522*^9, 3.568378867046343*^9}, {3.568378915468828*^9, 3.56837896203491*^9}, { 3.5683790764299107`*^9, 3.568379270041851*^9}, {3.568380233530743*^9, 3.568380234388745*^9}, 3.5683804214954734`*^9, 3.568380471867962*^9, 3.5683805399464817`*^9, {3.5683812396077104`*^9, 3.568381293537005*^9}, { 3.568381339541486*^9, 3.568381420224828*^9}, {3.5684645223056345`*^9, 3.5684645572340956`*^9}, {3.5684651558539467`*^9, 3.5684651618911576`*^9}, {3.5688209923798466`*^9, 3.568820997683856*^9}, { 3.568821158754139*^9, 3.568821160750942*^9}, 3.56882222404881*^9, { 3.568822649274357*^9, 3.5688226508031597`*^9}, 3.568822723109287*^9, { 3.5693397221142225`*^9, 3.5693397223326235`*^9}, {3.5693899272912874`*^9, 3.5693899274472876`*^9}, {3.5693910617720795`*^9, 3.5693910848757205`*^9}, 3.5693911374166126`*^9, {3.569391214402748*^9, 3.5693912147147484`*^9}, 3.569391451944365*^9, {3.569391487793228*^9, 3.569391507620863*^9}, { 3.5693923162258854`*^9, 3.5693923173958874`*^9}, {3.569406068526634*^9, 3.569406086092265*^9}, 3.569690172138941*^9, 3.569780036185542*^9, { 3.570453906913044*^9, 3.5704539079894457`*^9}, {3.570454575670618*^9, 3.5704545899602437`*^9}, {3.570454765008151*^9, 3.570454772277764*^9}, 3.5708553779481487`*^9, {3.5709431726830034`*^9, 3.570943174555007*^9}, { 3.5709495710522423`*^9, 3.5709495907082767`*^9}, {3.570949647617176*^9, 3.570949673138821*^9}, {3.570950759321929*^9, 3.5709507772775607`*^9}, { 3.5709508127364225`*^9, 3.5709508405200715`*^9}, {3.570991123104905*^9, 3.570991124259307*^9}, {3.5709912161278687`*^9, 3.570991227937089*^9}, { 3.5709912804155817`*^9, 3.570991308776431*^9}, {3.5709914026885962`*^9, 3.5709914215490294`*^9}, {3.570991574429298*^9, 3.5709916038821497`*^9}, 3.570991652445035*^9, 3.570991830004547*^9, 3.570991865276209*^9, { 3.5709919181759014`*^9, 3.5709919260539155`*^9}, {3.570992027251293*^9, 3.570992050058533*^9}, 3.5709920901350036`*^9, 3.570992186979974*^9, { 3.57122255431676*^9, 3.5712225562355638`*^9}, 3.571223175338251*^9, { 3.5713153738729277`*^9, 3.571315375682531*^9}, 3.5713224026962075`*^9, { 3.5713224627875133`*^9, 3.5713224654863176`*^9}, {3.5713224965147724`*^9, 3.571322572268505*^9}, {3.5713226259637995`*^9, 3.5713226549330506`*^9}, { 3.5713308245340652`*^9, 3.571330884469371*^9}, {3.5713309160126257`*^9, 3.5713309422674723`*^9}, 3.571331071326499*^9, {3.5713311246629925`*^9, 3.5713311332274075`*^9}, {3.571331300334901*^9, 3.5713313470881834`*^9}, 3.5713314298931284`*^9, 3.571331594130217*^9, {3.571331632849485*^9, 3.5713316334578857`*^9}, {3.5713316704299507`*^9, 3.5713316709447517`*^9}, {3.571331783327349*^9, 3.571331790019761*^9}, { 3.5713319475956383`*^9, 3.571331948360039*^9}, {3.5713326567416835`*^9, 3.571332681717327*^9}, {3.571332736801024*^9, 3.571332753305853*^9}, { 3.571332796221528*^9, 3.5713328475768185`*^9}, {3.571332914344936*^9, 3.571332924672154*^9}, {3.5713330072586994`*^9, 3.5713330320471425`*^9}, { 3.5713330798612266`*^9, 3.5713330883320417`*^9}, {3.5713331731961904`*^9, 3.571333178266199*^9}, {3.571333407851803*^9, 3.571333426837036*^9}, { 3.571333542292839*^9, 3.571333557705666*^9}, {3.5713336117441607`*^9, 3.5713337055939255`*^9}, {3.5713337750608473`*^9, 3.571333798070888*^9}, { 3.5713366694988756`*^9, 3.5713366834765005`*^9}, {3.5713369716090064`*^9, 3.57133697359021*^9}, {3.57138272164856*^9, 3.571382756233821*^9}, { 3.57138283537276*^9, 3.571382866900415*^9}, {3.5713829070080853`*^9, 3.5713829086616883`*^9}, {3.571382939175342*^9, 3.5713830233374896`*^9}, { 3.5713831045200324`*^9, 3.571383106126835*^9}, {3.571383198260597*^9, 3.5713832448422785`*^9}, 3.5716785972796593`*^9, 3.5718167268987517`*^9, { 3.571838452469782*^9, 3.5718386879053955`*^9}, 3.571838766139532*^9, { 3.571838857446493*^9, 3.5718388645757055`*^9}, 3.5723437133735733`*^9, 3.5723437554312468`*^9, {3.5723449027196617`*^9, 3.572344929582909*^9}, 3.5723450406551046`*^9, {3.57234950163894*^9, 3.5723495196413713`*^9}, { 3.572584520172369*^9, 3.5725845258195786`*^9}, {3.5726224003989472`*^9, 3.57262241340937*^9}, 3.572796748424938*^9, 3.5727968708695536`*^9, { 3.572796971801731*^9, 3.572796995841373*^9}, {3.57279741546651*^9, 3.5727974308793373`*^9}, {3.572842795856916*^9, 3.5728428061217337`*^9}, { 3.5728522627179437`*^9, 3.572852288426789*^9}, {3.5728523495164957`*^9, 3.572852453865079*^9}, {3.5728524960787535`*^9, 3.572852515110787*^9}, { 3.572852550008048*^9, 3.572852634669397*^9}, {3.5728602362372026`*^9, 3.5728602649256525`*^9}, 3.572860311756935*^9, 3.5731241886618786`*^9, 3.5731408095114717`*^9, 3.5731408826443996`*^9, {3.573211072949067*^9, 3.5732110779254756`*^9}, {3.5732129727516036`*^9, 3.573212981300419*^9}, { 3.5732130120948725`*^9, 3.57321301629128*^9}, {3.573213384015126*^9, 3.573213388164733*^9}, {3.573220427063021*^9, 3.57322044338065*^9}, { 3.5733208085662665`*^9, 3.5733208285343018`*^9}, {3.57332089027921*^9, 3.5733208917144127`*^9}, {3.5733209483737125`*^9, 3.5733209652997417`*^9}, {3.5733210904587617`*^9, 3.5733211330312366`*^9}, {3.5746581574587035`*^9, 3.5746581598923078`*^9}, {3.5746632559372582`*^9, 3.5746632963569293`*^9}, 3.574669479281269*^9, {3.5746708530664816`*^9, 3.5746708831121345`*^9}, { 3.5746734822639*^9, 3.5746735338531904`*^9}, 3.5747441301394944`*^9}], Cell[BoxData[{ RowBox[{ RowBox[{ RowBox[{"tc", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"{", RowBox[{ RowBox[{"x", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"y", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"z", "[", RowBox[{"[", "i", "]"}], "]"}]}], "}"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "bc"}], "}"}]}], "]"}]}], ";"}], " ", RowBox[{"(*", " ", RowBox[{"core", " ", "clouds"}], " ", "*)"}]}], "\[IndentingNewLine]", RowBox[{ RowBox[{ RowBox[{"twc", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"{", RowBox[{ RowBox[{"wxc", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"wyc", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"wzc", "[", RowBox[{"[", "i", "]"}], "]"}]}], "}"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "cw"}], "}"}]}], "]"}]}], ";"}], " ", RowBox[{"(*", " ", RowBox[{"Bond", " ", "c\[ODoubleDot]ouds", " ", "between", " ", "cores"}], " ", "*)"}]}], "\[IndentingNewLine]", RowBox[{ RowBox[{ RowBox[{"twh", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"{", RowBox[{ RowBox[{"wxh", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"wyh", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"wzh", "[", RowBox[{"[", "i", "]"}], "]"}]}], "}"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "bh"}], "}"}]}], "]"}]}], ";"}], " ", RowBox[{"(*", " ", RowBox[{"H", "-", RowBox[{"bonding", " ", "clouds"}]}], " ", "*)"}], " "}], "\[IndentingNewLine]", RowBox[{ RowBox[{"tw", "=", RowBox[{"Join", "[", RowBox[{ "tc", ",", "twc", ",", "twh", ",", "tpo", ",", "tpu", ",", "tplo", ",", "tplu", ",", "tpso", ",", "tpsu"}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"bt", "=", RowBox[{"Length", "[", "tw", "]"}]}], "\[IndentingNewLine]", RowBox[{"(*", RowBox[{"MatrixForm", "[", "tw", "]"}], "*)"}]}], "\[IndentingNewLine]", RowBox[{ RowBox[{"(*", " ", RowBox[{"coordinates", " ", "of", " ", "clouds"}], " ", "*)"}]}]}], "Input", CellChangeTimes->{{3.568895397419882*^9, 3.5688955157148895`*^9}, { 3.568895549629349*^9, 3.5688955855718126`*^9}, {3.568895617317868*^9, 3.568895845234268*^9}, {3.5688960797194805`*^9, 3.5688961015127187`*^9}, { 3.568896219074525*^9, 3.5688962276233397`*^9}, {3.568896262910602*^9, 3.5688962903198504`*^9}, 3.5688964250728865`*^9, 3.568896456912543*^9, { 3.5688981540863237`*^9, 3.5688981869399815`*^9}, {3.5689021233572955`*^9, 3.5689021341525145`*^9}, {3.5689111169043026`*^9, 3.5689111218495116`*^9}, {3.568911235261711*^9, 3.568911242437723*^9}, 3.5689112948850155`*^9, {3.5689116510180407`*^9, 3.568911800419503*^9}, { 3.568911871820829*^9, 3.5689119012892804`*^9}, {3.5689119993042526`*^9, 3.5689120006770554`*^9}, {3.568912144306507*^9, 3.568912165085744*^9}, { 3.5689528310632005`*^9, 3.5689528569592457`*^9}, {3.5689534065794115`*^9, 3.5689534297298517`*^9}, {3.568954496214126*^9, 3.5689545054337425`*^9}, 3.5689569073699613`*^9, {3.56913308739126*^9, 3.5691332012870607`*^9}, { 3.569135511323518*^9, 3.5691355127119203`*^9}, {3.569136204167535*^9, 3.569136290747687*^9}, {3.5691598050571885`*^9, 3.569159843199256*^9}, { 3.5692215417755947`*^9, 3.569221597186892*^9}, {3.5692216819730406`*^9, 3.5692217090546885`*^9}, {3.5692217693019943`*^9, 3.5692218260704937`*^9}, {3.5692219780303607`*^9, 3.569221989433981*^9}, { 3.569222055468897*^9, 3.5692220728005276`*^9}, {3.5693401536421804`*^9, 3.5693401889450426`*^9}, 3.5693411655535583`*^9, {3.569341634303181*^9, 3.569341638733589*^9}, {3.5704549882757435`*^9, 3.5704550487414494`*^9}, { 3.570455928146194*^9, 3.5704559415310173`*^9}, {3.5708553973857827`*^9, 3.5708554057785974`*^9}, {3.5718402591869545`*^9, 3.5718402726497784`*^9}, 3.572328636723397*^9, {3.572328748419593*^9, 3.57232875246*^9}, { 3.5725921859362335`*^9, 3.5725921932682457`*^9}, {3.5725923978158054`*^9, 3.5725924023086133`*^9}, 3.5725926630786715`*^9, {3.5726167873570023`*^9, 3.57261679757502*^9}, 3.572620232450739*^9, {3.5726252144466896`*^9, 3.57262521482109*^9}, {3.572842310446463*^9, 3.5728423195412793`*^9}, 3.572851092419488*^9, {3.572851145927582*^9, 3.5728511735708303`*^9}, { 3.5728512529593697`*^9, 3.572851265595392*^9}, 3.5728513850916023`*^9, 3.573124143499799*^9, {3.5733124027399025`*^9, 3.573312472362825*^9}, { 3.5733130968319216`*^9, 3.5733130974091225`*^9}, {3.573316202329376*^9, 3.573316209786189*^9}, 3.573368517265889*^9, 3.5746700189174166`*^9, { 3.574670900474965*^9, 3.5746709256066093`*^9}}], Cell[BoxData[ RowBox[{ RowBox[{"(*", " ", RowBox[{"cloud", "-", RowBox[{"cloud", " ", "distances"}]}], " ", "*)"}], "\[IndentingNewLine]", RowBox[{ RowBox[{ RowBox[{"dw", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"Norm", "[", RowBox[{ RowBox[{"tw", "[", RowBox[{"[", "i", "]"}], "]"}], "-", RowBox[{"tw", "[", RowBox[{"[", "j", "]"}], "]"}]}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "bt"}], "}"}], ",", RowBox[{"{", RowBox[{"j", ",", "1", ",", "bt"}], "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{"(*", RowBox[{"MatrixForm", "[", "dw", "]"}], "*)"}], "\[IndentingNewLine]", RowBox[{"Length", "[", "dw", "]"}]}]}]], "Input", CellChangeTimes->{{3.5688982251756487`*^9, 3.5688986440675845`*^9}, { 3.5688986873108606`*^9, 3.56889871560931*^9}, {3.5688987970414534`*^9, 3.5688988526711507`*^9}, {3.568898887147211*^9, 3.568898888644814*^9}, { 3.5688989206248703`*^9, 3.568899041759083*^9}, {3.5688990876855636`*^9, 3.568899258349863*^9}, 3.568899300267137*^9, {3.568899351326027*^9, 3.5688993831032825`*^9}, {3.5688994370481772`*^9, 3.568899468217032*^9}, { 3.5688995813016305`*^9, 3.5688997165538683`*^9}, {3.5688998495129013`*^9, 3.568899932364647*^9}, {3.568899967667509*^9, 3.568900024529609*^9}, { 3.5689000794261055`*^9, 3.568900136257005*^9}, {3.5689001767858763`*^9, 3.56890020149632*^9}, {3.568902068726*^9, 3.568902074139209*^9}, 3.56890216040736*^9, 3.568902344113283*^9, {3.5689024237982235`*^9, 3.56890243907065*^9}, 3.5689025770684924`*^9, 3.568910195129884*^9, 3.568910620995032*^9, {3.568912393532545*^9, 3.5689124022841606`*^9}, { 3.5691332074958715`*^9, 3.5691332081666727`*^9}, {3.5691352237838125`*^9, 3.5691352313342257`*^9}, {3.5691489965881166`*^9, 3.5691490103317413`*^9}, {3.5691490440122004`*^9, 3.5691491351943607`*^9}, {3.569149201666077*^9, 3.5691492026956787`*^9}, { 3.5691494320784817`*^9, 3.5691494680989447`*^9}, {3.569152288984131*^9, 3.5691522953957424`*^9}, {3.5691595058486633`*^9, 3.569159537672719*^9}, 3.569237911685565*^9, 3.5693411655535583`*^9, 3.5693418217687106`*^9, { 3.5703410302061863`*^9, 3.570341063621445*^9}, {3.5720164790812473`*^9, 3.572016508424899*^9}, {3.57235540487335*^9, 3.572355408040156*^9}, { 3.572356807768214*^9, 3.5723568154122276`*^9}, {3.572621722359356*^9, 3.572621725962962*^9}}], Cell[BoxData[ RowBox[{ RowBox[{"(*", " ", RowBox[{"nucleus", "-", RowBox[{"nucleus", " ", "distances"}]}], " ", "*)"}], "\[IndentingNewLine]", RowBox[{"(*", RowBox[{"MatrixForm", "[", "dc", "]"}], " ", "*)"}], " "}]], "Input", CellChangeTimes->{{3.5688982251756487`*^9, 3.5688986440675845`*^9}, { 3.5688986873108606`*^9, 3.56889871560931*^9}, {3.5688987970414534`*^9, 3.5688988526711507`*^9}, {3.568898887147211*^9, 3.568898888644814*^9}, { 3.5688989206248703`*^9, 3.568899041759083*^9}, {3.5688990876855636`*^9, 3.568899258349863*^9}, 3.568899300267137*^9, {3.568899351326027*^9, 3.5688993831032825`*^9}, {3.5688994370481772`*^9, 3.568899468217032*^9}, { 3.5688995813016305`*^9, 3.5688997165538683`*^9}, {3.5688998495129013`*^9, 3.568899932364647*^9}, {3.568899967667509*^9, 3.568900024529609*^9}, { 3.5689000794261055`*^9, 3.568900136257005*^9}, {3.5689001767858763`*^9, 3.56890020149632*^9}, {3.568902068726*^9, 3.568902074139209*^9}, 3.56890216040736*^9, 3.568902344113283*^9, {3.5689024237982235`*^9, 3.56890243907065*^9}, 3.5689025770684924`*^9, 3.568910195129884*^9, 3.568910620995032*^9, {3.568912393532545*^9, 3.5689124022841606`*^9}, { 3.5691332074958715`*^9, 3.5691332081666727`*^9}, {3.5691352237838125`*^9, 3.5691352313342257`*^9}, {3.5691489965881166`*^9, 3.5691490103317413`*^9}, {3.5691490440122004`*^9, 3.5691491273631463`*^9}, {3.5691523435842266`*^9, 3.56915234531583*^9}, { 3.5691524837816734`*^9, 3.569152599175076*^9}, {3.569159470889002*^9, 3.569159489874235*^9}, {3.569160442895509*^9, 3.5691604484335184`*^9}, 3.569237923385586*^9, 3.569341165569158*^9, 3.5693418217843103`*^9, { 3.570341048161818*^9, 3.570341058286236*^9}, {3.57034131095988*^9, 3.570341315156287*^9}, 3.5703415891395683`*^9, 3.570341976207448*^9}], Cell[BoxData[{ RowBox[{ RowBox[{"tv1", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"t", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "bc"}], "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"tv2", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"{", RowBox[{"0", ",", "0", ",", "0"}], "}"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "cw"}], "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"tv3", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{"t", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", RowBox[{"bc", "+", "1"}], ",", "n"}], "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{ RowBox[{"tv4", " ", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"{", RowBox[{"0", ",", "0", ",", "0"}], "}"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "cj"}], "}"}]}], "]"}]}], ";"}], " "}], "\[IndentingNewLine]", RowBox[{ RowBox[{ RowBox[{"tv5", " ", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"{", RowBox[{"0", ",", "0", ",", "0"}], "}"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "cj"}], "}"}]}], "]"}]}], ";"}], " "}], "\[IndentingNewLine]", RowBox[{ RowBox[{ RowBox[{"tv6", " ", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"{", RowBox[{"0", ",", "0", ",", "0"}], "}"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "10"}], "}"}]}], "]"}]}], ";"}], " "}], "\[IndentingNewLine]", RowBox[{ RowBox[{ RowBox[{"tv", " ", "=", " ", RowBox[{"Join", "[", RowBox[{ "tv1", ",", "tv2", ",", "tv3", ",", "tv4", ",", "tv5", ",", "tv6"}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{"(*", RowBox[{"MatrixForm", "[", "tv", "]"}], "*)"}]}], "\[IndentingNewLine]", RowBox[{"Length", "[", "tv", "]"}]}], "Input", CellChangeTimes->{{3.5688982251756487`*^9, 3.5688986440675845`*^9}, { 3.5688986873108606`*^9, 3.56889871560931*^9}, {3.5688987970414534`*^9, 3.5688988526711507`*^9}, {3.568898887147211*^9, 3.568898888644814*^9}, { 3.5688989206248703`*^9, 3.568899041759083*^9}, {3.5688990876855636`*^9, 3.568899258349863*^9}, 3.568899300267137*^9, {3.568899351326027*^9, 3.5688993831032825`*^9}, {3.5688994370481772`*^9, 3.568899468217032*^9}, { 3.5688995813016305`*^9, 3.5688997165538683`*^9}, {3.5688998495129013`*^9, 3.568899932364647*^9}, {3.568899967667509*^9, 3.568900024529609*^9}, { 3.5689000794261055`*^9, 3.568900136257005*^9}, {3.5689001767858763`*^9, 3.56890020149632*^9}, {3.568902068726*^9, 3.568902074139209*^9}, 3.56890216040736*^9, 3.568902344113283*^9, {3.5689024237982235`*^9, 3.56890243907065*^9}, 3.5689025770684924`*^9, 3.568910195129884*^9, 3.568910620995032*^9, {3.568912393532545*^9, 3.5689124022841606`*^9}, { 3.5691332074958715`*^9, 3.5691332081666727`*^9}, {3.5691352237838125`*^9, 3.5691352313342257`*^9}, {3.5691489965881166`*^9, 3.5691490103317413`*^9}, {3.5691490440122004`*^9, 3.5691491273631463`*^9}, {3.5691523435842266`*^9, 3.56915234531583*^9}, { 3.5691524837816734`*^9, 3.5691526041202846`*^9}, {3.5691595921324143`*^9, 3.5691596901941867`*^9}, {3.569159772406331*^9, 3.5691597832951508`*^9}, { 3.5691598700313025`*^9, 3.569159885147729*^9}, {3.569160485733184*^9, 3.569160486887586*^9}, {3.5691672792073207`*^9, 3.5691672793789206`*^9}, { 3.5691673418102303`*^9, 3.5691674875144863`*^9}, {3.569168259700243*^9, 3.569168260386644*^9}, {3.569168321257951*^9, 3.569168337466379*^9}, { 3.5691685152754917`*^9, 3.569168656096939*^9}, {3.5691687137702403`*^9, 3.569168772566744*^9}, {3.5691697249898825`*^9, 3.569169747063921*^9}, { 3.569169944981469*^9, 3.5691699696763124`*^9}, 3.569341165569158*^9, { 3.5693417833614435`*^9, 3.5693417874486504`*^9}, {3.5704552110753345`*^9, 3.5704552378605814`*^9}, {3.5704560776724567`*^9, 3.570456083070066*^9}, { 3.570855427306635*^9, 3.570855434529448*^9}, {3.57184030784344*^9, 3.5718403245666695`*^9}, {3.5723553440956435`*^9, 3.5723553601792717`*^9}, {3.5723567913257856`*^9, 3.572356801543803*^9}, { 3.5723587125159597`*^9, 3.572358735884801*^9}, {3.5726205042656164`*^9, 3.5726205078692226`*^9}, {3.5726209578956137`*^9, 3.5726209632776227`*^9}, {3.5726266468256054`*^9, 3.5726266628780336`*^9}, {3.57284236531176*^9, 3.57284238273699*^9}, { 3.572842728620798*^9, 3.572842734502008*^9}, 3.5731240921601086`*^9, { 3.5733125819686174`*^9, 3.573312582608218*^9}, {3.5733126196738834`*^9, 3.5733126474263325`*^9}, {3.5733131200291624`*^9, 3.5733131288743777`*^9}, 3.573368536719124*^9, {3.5746698693443537`*^9, 3.5746698885011873`*^9}, { 3.574740991757182*^9, 3.5747410134412203`*^9}, {3.5748285231568966`*^9, 3.5748285315497117`*^9}}], Cell[BoxData[{ RowBox[{ RowBox[{"ow", "=", RowBox[{"Join", "[", RowBox[{ RowBox[{"Table", "[", RowBox[{ RowBox[{"-", "2.0"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", RowBox[{"bc", "+", "nb"}]}], "}"}]}], "]"}], ",", RowBox[{"Table", "[", RowBox[{ RowBox[{"-", "0.5"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", RowBox[{"2", "*", "cj"}]}], "}"}]}], "]"}], ",", RowBox[{"Table", "[", RowBox[{ RowBox[{"-", "2.0"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "10"}], "}"}]}], "]"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", "ow", "\[IndentingNewLine]", RowBox[{"cnv", "=", RowBox[{"Join", "[", RowBox[{ RowBox[{"Table", "[", RowBox[{ RowBox[{"cn", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "bc"}], "}"}]}], "]"}], ",", RowBox[{"Table", "[", RowBox[{"0.0", ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "cw"}], "}"}]}], "]"}], ",", RowBox[{"Table", "[", RowBox[{ RowBox[{"cn", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", RowBox[{"bc", "+", "1"}], ",", "n"}], "}"}]}], "]"}], ",", RowBox[{"Table", "[", RowBox[{"0.0", ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", RowBox[{"2", "*", "cj"}]}], "}"}]}], "]"}], ",", RowBox[{"Table", "[", RowBox[{"0.0", ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "10"}], "}"}]}], "]"}]}], "]"}]}]}], "Input", CellChangeTimes->{{3.5688982251756487`*^9, 3.5688986440675845`*^9}, { 3.5688986873108606`*^9, 3.56889871560931*^9}, {3.5688987970414534`*^9, 3.5688988526711507`*^9}, {3.568898887147211*^9, 3.568898888644814*^9}, { 3.5688989206248703`*^9, 3.568899041759083*^9}, {3.5688990876855636`*^9, 3.568899258349863*^9}, 3.568899300267137*^9, {3.568899351326027*^9, 3.5688993831032825`*^9}, {3.5688994370481772`*^9, 3.568899468217032*^9}, { 3.5688995813016305`*^9, 3.5688997165538683`*^9}, {3.5688998495129013`*^9, 3.568899932364647*^9}, {3.568899967667509*^9, 3.568900024529609*^9}, { 3.5689000794261055`*^9, 3.568900136257005*^9}, {3.5689001767858763`*^9, 3.56890020149632*^9}, {3.568902068726*^9, 3.568902074139209*^9}, 3.56890216040736*^9, 3.568902344113283*^9, {3.5689024237982235`*^9, 3.56890243907065*^9}, 3.5689025770684924`*^9, 3.568910195129884*^9, 3.568910620995032*^9, {3.568912393532545*^9, 3.5689124022841606`*^9}, { 3.5691332074958715`*^9, 3.5691332081666727`*^9}, {3.5691352237838125`*^9, 3.5691352313342257`*^9}, {3.5691489965881166`*^9, 3.5691490103317413`*^9}, {3.5691490440122004`*^9, 3.5691491273631463`*^9}, {3.5691523435842266`*^9, 3.56915234531583*^9}, { 3.5691524837816734`*^9, 3.5691526041202846`*^9}, {3.5691595921324143`*^9, 3.5691596901941867`*^9}, {3.569159772406331*^9, 3.5691597832951508`*^9}, { 3.5691598700313025`*^9, 3.569159885147729*^9}, {3.569160485733184*^9, 3.569160486887586*^9}, {3.5691672792073207`*^9, 3.5691672793789206`*^9}, { 3.5691673418102303`*^9, 3.5691674875144863`*^9}, {3.569168259700243*^9, 3.569168260386644*^9}, {3.569168321257951*^9, 3.569168337466379*^9}, { 3.5691685152754917`*^9, 3.569168656096939*^9}, {3.5691687137702403`*^9, 3.569168772566744*^9}, {3.5691697249898825`*^9, 3.569169747063921*^9}, { 3.569169944981469*^9, 3.5691699655579047`*^9}, {3.56921753575448*^9, 3.569217541807291*^9}, {3.569217576283351*^9, 3.5692176436130695`*^9}, { 3.5692176921603546`*^9, 3.569217692768756*^9}, {3.5692177389136367`*^9, 3.569217740192839*^9}, {3.5692222042775583`*^9, 3.5692222070231633`*^9}, { 3.569230669979245*^9, 3.5692306709620466`*^9}, {3.5692308816872168`*^9, 3.5692309970650196`*^9}, {3.5692310297158766`*^9, 3.569231090602784*^9}, { 3.5692311251880445`*^9, 3.569231148868886*^9}, 3.56923793753481*^9, 3.569341165569158*^9, 3.5693418217375107`*^9, {3.5703412254249296`*^9, 3.5703412423509593`*^9}, {3.5704553045038986`*^9, 3.570455320681127*^9}, { 3.57045550485505*^9, 3.5704555063370533`*^9}, {3.5704556421508913`*^9, 3.5704556424784923`*^9}, 3.5704557137862177`*^9, {3.5704564711051474`*^9, 3.5704564908079824`*^9}, {3.570456521602436*^9, 3.5704565228348384`*^9}, { 3.5704569127419233`*^9, 3.5704569202767363`*^9}, 3.5704636205455036`*^9, 3.570596993178934*^9, {3.570855461377095*^9, 3.5708554743563175`*^9}, 3.570855611589759*^9, {3.571840408884818*^9, 3.571840415296429*^9}, { 3.571840465559717*^9, 3.571840473905732*^9}, {3.5720165322617407`*^9, 3.5720165635241957`*^9}, {3.5721934404423375`*^9, 3.57219344758715*^9}, 3.572193479551606*^9, {3.5721935303764954`*^9, 3.572193534214102*^9}, { 3.5726206642250977`*^9, 3.5726206651142993`*^9}, {3.572620782223705*^9, 3.572620782738506*^9}, {3.572620924963956*^9, 3.5726209465699935`*^9}, { 3.572842408289835*^9, 3.5728424357302833`*^9}, {3.5728424783807583`*^9, 3.57284247916076*^9}, 3.5728451195121975`*^9, {3.5731249170427575`*^9, 3.573124927962777*^9}, {3.5731450428093076`*^9, 3.5731450615449405`*^9}, { 3.5731451273458557`*^9, 3.573145132259865*^9}, {3.573312700185625*^9, 3.573312779979765*^9}, {3.5733131504804153`*^9, 3.5733131516816177`*^9}, { 3.5733132756862354`*^9, 3.5733132772462387`*^9}, {3.5733147916812983`*^9, 3.573314840275384*^9}, {3.5733593507659893`*^9, 3.573359359377204*^9}, { 3.5746698998736076`*^9, 3.574669995361375*^9}, {3.5747410251880407`*^9, 3.574741049430484*^9}, {3.574828384379053*^9, 3.574828403270686*^9}, 3.5748284615211887`*^9, {3.5748284935168447`*^9, 3.5748284944996467`*^9}}], Cell[BoxData[ RowBox[{ RowBox[{"(*", " ", RowBox[{"nucleus", "-", RowBox[{"cloud", " ", "distances"}]}], " ", "*)"}], "\[IndentingNewLine]", RowBox[{ RowBox[{ RowBox[{"dcw", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{ RowBox[{"sq", "=", RowBox[{"Norm", "[", RowBox[{ RowBox[{"tw", "[", RowBox[{"[", "i", "]"}], "]"}], "-", RowBox[{"tv", "[", RowBox[{"[", "j", "]"}], "]"}]}], "]"}]}], ";", RowBox[{"If", "[", RowBox[{ RowBox[{"(", RowBox[{ RowBox[{"sq", ">", " ", "0.1"}], " ", "&&", " ", RowBox[{"i", "\[NotEqual]", "j"}]}], ")"}], ",", RowBox[{"1", "/", "sq"}], ",", "0"}], "]"}]}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "bt"}], "}"}], ",", RowBox[{"{", RowBox[{"j", ",", "1", ",", "bt"}], "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{"Length", "[", "dcw", "]"}], "\[IndentingNewLine]", RowBox[{"(*", RowBox[{"MatrixForm", "[", "dcw", "]"}], "*)"}], " "}]}]], "Input", CellChangeTimes->{{3.5688982251756487`*^9, 3.5688986440675845`*^9}, { 3.5688986873108606`*^9, 3.56889871560931*^9}, {3.5688987970414534`*^9, 3.5688988526711507`*^9}, {3.568898887147211*^9, 3.568898888644814*^9}, { 3.5688989206248703`*^9, 3.568899041759083*^9}, {3.5688990876855636`*^9, 3.568899258349863*^9}, 3.568899300267137*^9, {3.568899351326027*^9, 3.5688993831032825`*^9}, {3.5688994370481772`*^9, 3.568899468217032*^9}, { 3.5688995813016305`*^9, 3.5688997165538683`*^9}, {3.5688998495129013`*^9, 3.568899932364647*^9}, {3.568899967667509*^9, 3.568900024529609*^9}, { 3.5689000794261055`*^9, 3.568900136257005*^9}, {3.5689001767858763`*^9, 3.56890020149632*^9}, {3.568902068726*^9, 3.568902074139209*^9}, 3.56890216040736*^9, 3.568902344113283*^9, {3.5689024237982235`*^9, 3.56890243907065*^9}, 3.5689025770684924`*^9, 3.568910195129884*^9, 3.568910620995032*^9, {3.568912393532545*^9, 3.5689124022841606`*^9}, { 3.5691332074958715`*^9, 3.5691332081666727`*^9}, {3.5691352237838125`*^9, 3.5691352313342257`*^9}, {3.5691489965881166`*^9, 3.5691490103317413`*^9}, {3.5691490440122004`*^9, 3.5691491273631463`*^9}, {3.5691523435842266`*^9, 3.56915234531583*^9}, { 3.5691524837816734`*^9, 3.5691526041202846`*^9}, {3.5691595921324143`*^9, 3.5691596901941867`*^9}, {3.569159772406331*^9, 3.5691597832951508`*^9}, { 3.5691598700313025`*^9, 3.569159885147729*^9}, {3.569160485733184*^9, 3.569160486887586*^9}, {3.5691672792073207`*^9, 3.5691672793789206`*^9}, { 3.5691673418102303`*^9, 3.5691674875144863`*^9}, {3.569168259700243*^9, 3.569168260386644*^9}, {3.569168321257951*^9, 3.569168337466379*^9}, { 3.5691685152754917`*^9, 3.569168656096939*^9}, {3.5691687137702403`*^9, 3.569168772566744*^9}, {3.5691697249898825`*^9, 3.569169747063921*^9}, { 3.569169944981469*^9, 3.5691699655579047`*^9}, {3.56921753575448*^9, 3.569217541807291*^9}, {3.569217576283351*^9, 3.5692176436130695`*^9}, { 3.5692176921603546`*^9, 3.569217692768756*^9}, {3.5692177389136367`*^9, 3.569217740192839*^9}, {3.5692222042775583`*^9, 3.5692222070231633`*^9}, { 3.569230669979245*^9, 3.5692306709620466`*^9}, {3.5692308816872168`*^9, 3.5692309970650196`*^9}, {3.5692310297158766`*^9, 3.569231090602784*^9}, { 3.5692311251880445`*^9, 3.569231148868886*^9}, 3.56923793753481*^9, 3.569341165569158*^9, 3.5693418217375107`*^9, {3.5703412254249296`*^9, 3.5703412423509593`*^9}, {3.5704553045038986`*^9, 3.570455320681127*^9}, { 3.57045550485505*^9, 3.5704555063370533`*^9}, {3.5704556421508913`*^9, 3.5704556424784923`*^9}, 3.5704557137862177`*^9, {3.5704564711051474`*^9, 3.5704564908079824`*^9}, {3.570456521602436*^9, 3.5704565228348384`*^9}, { 3.5704569127419233`*^9, 3.5704569202767363`*^9}, 3.5704636205455036`*^9, 3.570596993178934*^9, {3.570855461377095*^9, 3.5708554743563175`*^9}, 3.570855611589759*^9, {3.571840408884818*^9, 3.571840415296429*^9}, { 3.571840465559717*^9, 3.571840473905732*^9}, {3.5720165322617407`*^9, 3.5720165635241957`*^9}, {3.5721934404423375`*^9, 3.57219344758715*^9}, 3.572193479551606*^9, 3.5721935303764954`*^9, {3.5721935661785583`*^9, 3.5721935879405966`*^9}, {3.5721936909943776`*^9, 3.572193697218788*^9}, { 3.5721937395728626`*^9, 3.57219374339487*^9}, {3.5721937963725624`*^9, 3.5721938223154078`*^9}, {3.572193859786674*^9, 3.572193861533877*^9}, 3.5723554650270557`*^9, {3.5723567325136824`*^9, 3.5723567701565485`*^9}, 3.572621740954589*^9}], Cell[BoxData[{ RowBox[{"Elcharge", "=", RowBox[{"Sum", "[", RowBox[{ RowBox[{"ow", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", RowBox[{"Length", "[", "ow", "]"}]}], "}"}]}], "]"}]}], "\[IndentingNewLine]", RowBox[{"Length", "[", "ow", "]"}], "\[IndentingNewLine]", RowBox[{"Nuccharge", "=", RowBox[{"Sum", "[", RowBox[{ RowBox[{"cnv", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", RowBox[{"Length", "[", "cnv", "]"}]}], "}"}]}], "]"}]}], "\[IndentingNewLine]", RowBox[{"Length", "[", "cnv", "]"}], "\[IndentingNewLine]"}], "Input", CellChangeTimes->{{3.5688982251756487`*^9, 3.5688986440675845`*^9}, { 3.5688986873108606`*^9, 3.56889871560931*^9}, {3.5688987970414534`*^9, 3.5688988526711507`*^9}, {3.568898887147211*^9, 3.568898888644814*^9}, { 3.5688989206248703`*^9, 3.568899041759083*^9}, {3.5688990876855636`*^9, 3.568899258349863*^9}, 3.568899300267137*^9, {3.568899351326027*^9, 3.5688993831032825`*^9}, {3.5688994370481772`*^9, 3.568899468217032*^9}, { 3.5688995813016305`*^9, 3.5688997165538683`*^9}, {3.5688998495129013`*^9, 3.568899932364647*^9}, {3.568899967667509*^9, 3.568900024529609*^9}, { 3.5689000794261055`*^9, 3.568900136257005*^9}, {3.5689001767858763`*^9, 3.56890020149632*^9}, {3.568902068726*^9, 3.568902074139209*^9}, 3.56890216040736*^9, 3.568902344113283*^9, {3.5689024237982235`*^9, 3.56890243907065*^9}, 3.5689025770684924`*^9, {3.568910195129884*^9, 3.568910199825492*^9}, 3.568910617609826*^9, {3.56891263539537*^9, 3.568912638842976*^9}, {3.568952611212014*^9, 3.5689526227248344`*^9}, { 3.5689527476498537`*^9, 3.5689527480086546`*^9}, {3.5689530637688093`*^9, 3.5689530642368097`*^9}, {3.569133363948546*^9, 3.569133373698563*^9}, { 3.5691350563331184`*^9, 3.56913505725352*^9}, 3.5691351502452836`*^9, { 3.569135237792637*^9, 3.5691352453118505`*^9}, {3.5691353071659594`*^9, 3.5691353166039753`*^9}, {3.5691447439722476`*^9, 3.5691448093675623`*^9}, {3.569146067386572*^9, 3.569146078244191*^9}, { 3.5691478509845047`*^9, 3.5691478547909117`*^9}, {3.569159874789311*^9, 3.56915988004652*^9}, {3.5691671967299757`*^9, 3.569167196901576*^9}, 3.5691672337020407`*^9, {3.5691672688489027`*^9, 3.5691672717661076`*^9}, 3.569171387282002*^9, 3.5692335989467897`*^9, {3.573315125131884*^9, 3.57331521983965*^9}, {3.573315279213355*^9, 3.573315294797782*^9}, { 3.5733153507238803`*^9, 3.5733153551854877`*^9}, {3.5733153963695602`*^9, 3.5733154277724156`*^9}, {3.5733182525629773`*^9, 3.5733182928434477`*^9}}], Cell[BoxData[ RowBox[{ RowBox[{"Vee", "=", "0.0"}], ";", " ", RowBox[{"Vnn", "=", "0.0"}], ";"}]], "Input", CellChangeTimes->{{3.5688982251756487`*^9, 3.5688986440675845`*^9}, { 3.5688986873108606`*^9, 3.56889871560931*^9}, {3.5688987970414534`*^9, 3.5688988526711507`*^9}, {3.568898887147211*^9, 3.568898888644814*^9}, { 3.5688989206248703`*^9, 3.568899041759083*^9}, {3.5688990876855636`*^9, 3.568899258349863*^9}, 3.568899300267137*^9, {3.568899351326027*^9, 3.5688993831032825`*^9}, {3.5688994370481772`*^9, 3.568899468217032*^9}, { 3.5688995813016305`*^9, 3.5688997165538683`*^9}, {3.5688998495129013`*^9, 3.568899932364647*^9}, {3.568899967667509*^9, 3.568900024529609*^9}, { 3.5689000794261055`*^9, 3.568900136257005*^9}, {3.5689001767858763`*^9, 3.56890020149632*^9}, {3.568902068726*^9, 3.568902074139209*^9}, 3.56890216040736*^9, 3.568902344113283*^9, {3.5689024237982235`*^9, 3.56890243907065*^9}, 3.5689025770684924`*^9, {3.568910195129884*^9, 3.568910199825492*^9}, 3.568910617609826*^9, {3.56891263539537*^9, 3.568912638842976*^9}, {3.568952611212014*^9, 3.5689526227248344`*^9}, { 3.5689527476498537`*^9, 3.5689527480086546`*^9}, {3.5689530637688093`*^9, 3.5689530642368097`*^9}, {3.569133363948546*^9, 3.569133373698563*^9}, { 3.5691350563331184`*^9, 3.56913505725352*^9}, 3.5691351502452836`*^9, { 3.569135237792637*^9, 3.5691352453118505`*^9}, {3.5691353071659594`*^9, 3.5691353166039753`*^9}, {3.5691447439722476`*^9, 3.5691448093675623`*^9}, {3.569146067386572*^9, 3.569146078244191*^9}, { 3.5691478509845047`*^9, 3.5691478547909117`*^9}, {3.569159874789311*^9, 3.56915988004652*^9}, {3.5691671967299757`*^9, 3.569167196901576*^9}, 3.5691672337020407`*^9, {3.5691672688489027`*^9, 3.5691672717661076`*^9}, 3.569171387282002*^9, 3.5692335989467897`*^9, {3.573315125131884*^9, 3.57331521983965*^9}, {3.573315279213355*^9, 3.573315294797782*^9}, { 3.5733153507238803`*^9, 3.5733153551854877`*^9}, {3.5733153963695602`*^9, 3.5733154277724156`*^9}}], Cell[BoxData[ RowBox[{ RowBox[{"(*", " ", RowBox[{"all", " ", "clouds", " ", "repulsion"}], " ", "*)"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"For", "[", RowBox[{ RowBox[{"i", "=", "1"}], ",", RowBox[{"i", "<", "bt"}], ",", RowBox[{"i", "++"}], ",", "\[IndentingNewLine]", RowBox[{"For", "[", RowBox[{ RowBox[{"j", "=", RowBox[{"i", "+", "1"}]}], ",", RowBox[{"j", "<", RowBox[{"bt", "+", "1"}]}], ",", RowBox[{"j", "++"}], ",", "\[IndentingNewLine]", RowBox[{"Vee", "=", RowBox[{"Vee", "+", RowBox[{ RowBox[{"ow", "[", RowBox[{"[", "i", "]"}], "]"}], "*", RowBox[{ RowBox[{"ow", "[", RowBox[{"[", "j", "]"}], "]"}], "/", RowBox[{"dw", "[", RowBox[{"[", RowBox[{"i", ",", "j"}], "]"}], "]"}]}]}]}]}]}], "]"}]}], "]"}], "\[IndentingNewLine]", "Vee"}]}]], "Input", CellChangeTimes->{{3.5688982251756487`*^9, 3.5688986440675845`*^9}, { 3.5688986873108606`*^9, 3.56889871560931*^9}, {3.5688987970414534`*^9, 3.5688988526711507`*^9}, {3.568898887147211*^9, 3.568898888644814*^9}, { 3.5688989206248703`*^9, 3.568899041759083*^9}, {3.5688990876855636`*^9, 3.568899258349863*^9}, 3.568899300267137*^9, {3.568899351326027*^9, 3.5688993831032825`*^9}, {3.5688994370481772`*^9, 3.568899468217032*^9}, { 3.5688995813016305`*^9, 3.5688997165538683`*^9}, {3.5688998495129013`*^9, 3.568899932364647*^9}, {3.568899967667509*^9, 3.568900024529609*^9}, { 3.5689000794261055`*^9, 3.568900136257005*^9}, {3.5689001767858763`*^9, 3.56890020149632*^9}, {3.568902068726*^9, 3.568902074139209*^9}, 3.56890216040736*^9, 3.568902344113283*^9, {3.5689024237982235`*^9, 3.56890243907065*^9}, 3.5689025770684924`*^9, {3.568910195129884*^9, 3.568910199825492*^9}, 3.568910617609826*^9, {3.56891263539537*^9, 3.568912638842976*^9}, {3.568952611212014*^9, 3.5689526227248344`*^9}, { 3.5689527476498537`*^9, 3.5689527480086546`*^9}, {3.5689530637688093`*^9, 3.5689530642368097`*^9}, {3.569133363948546*^9, 3.569133373698563*^9}, { 3.5691350563331184`*^9, 3.56913505725352*^9}, 3.5691351502452836`*^9, { 3.569135237792637*^9, 3.5691352453118505`*^9}, {3.5691353071659594`*^9, 3.5691353166039753`*^9}, {3.5691447439722476`*^9, 3.5691448093675623`*^9}, {3.569146067386572*^9, 3.569146078244191*^9}, { 3.5691478509845047`*^9, 3.5691478969889855`*^9}, {3.569149270524598*^9, 3.569149283675421*^9}, {3.5691523005437512`*^9, 3.5691523013861527`*^9}, { 3.570457123841494*^9, 3.5704571330923104`*^9}, {3.570457176959587*^9, 3.570457191296013*^9}, {3.570463789649801*^9, 3.570463797637015*^9}, { 3.5704639300032473`*^9, 3.5704639472412777`*^9}, {3.570464099403945*^9, 3.5704641196371803`*^9}, {3.570464183737693*^9, 3.5704641855628963`*^9}, { 3.570855532092019*^9, 3.5708555433240385`*^9}}], Cell[BoxData[ RowBox[{ RowBox[{"(*", " ", RowBox[{ "half", " ", "cloud", " ", "with", " ", "other", " ", "common", " ", RowBox[{"halfcloud", ":", " ", RowBox[{"subtract", " ", "WW"}]}]}], " ", "*)"}], "\[IndentingNewLine]", RowBox[{ RowBox[{ RowBox[{"For", " ", "[", RowBox[{ RowBox[{"i", "=", RowBox[{"nb", "+", "bc", "+", "1"}]}], ",", RowBox[{"i", "<", RowBox[{"nb", "+", "bc", "+", "cj"}]}], ",", RowBox[{"i", "++"}], ",", RowBox[{"Vee", "=", RowBox[{"Vee", "-", RowBox[{ RowBox[{"ow", "[", RowBox[{"[", "i", "]"}], "]"}], "*", RowBox[{ RowBox[{"ow", "[", RowBox[{"[", RowBox[{"i", "+", "cj"}], "]"}], "]"}], "/", RowBox[{"(", RowBox[{"rpo", "+", "rpi"}], ")"}]}]}]}]}]}], "]"}], ";"}], "\[IndentingNewLine]", "Vee", "\[IndentingNewLine]"}]}]], "Input", CellChangeTimes->{{3.571840548723463*^9, 3.571840579798718*^9}, { 3.5718477253093*^9, 3.5718477304573092`*^9}, {3.572620810756155*^9, 3.5726208298349886`*^9}, {3.5726208600522413`*^9, 3.5726208972739067`*^9}, {3.57279778559276*^9, 3.57279781975682*^9}, 3.5733150956478324`*^9, {3.5733650408599825`*^9, 3.573365073947641*^9}, { 3.573365126847334*^9, 3.573365203209468*^9}, {3.57467280495751*^9, 3.574672834457162*^9}, {3.574672996697447*^9, 3.5746729984914503`*^9}, { 3.574743538820456*^9, 3.574743544140065*^9}, {3.574828627021879*^9, 3.5748286276614804`*^9}, {3.5748512413081284`*^9, 3.57485124786014*^9}, { 3.574851313707855*^9, 3.5748513247994747`*^9}}], Cell[BoxData[{ RowBox[{ RowBox[{ RowBox[{"sc", "=", "0.36"}], ";"}], " ", RowBox[{"(*", " ", RowBox[{"core", " ", "clouds"}], " ", "*)"}]}], "\[IndentingNewLine]", RowBox[{"For", "[", RowBox[{ RowBox[{"i", "=", "1"}], " ", ",", RowBox[{"i", "<", RowBox[{"bc", "+", "1"}]}], ",", RowBox[{"i", "++"}], ",", RowBox[{"Vee", "=", RowBox[{"Vee", "+", RowBox[{"3", "*", RowBox[{"sc", "/", RowBox[{"u2", "[", RowBox[{"[", "i", "]"}], "]"}]}]}]}]}]}], "]"}], "\[IndentingNewLine]", RowBox[{ RowBox[{ RowBox[{"sw", "=", "0.36"}], ";"}], " ", RowBox[{"(*", " ", RowBox[{"bonding", " ", "clouds"}], " ", "*)"}]}], "\[IndentingNewLine]", RowBox[{"For", "[", RowBox[{ RowBox[{"i", "=", "1"}], " ", ",", RowBox[{"i", "<", RowBox[{"nb", "+", "1"}]}], ",", RowBox[{"i", "++"}], ",", RowBox[{"Vee", "=", RowBox[{"Vee", "+", RowBox[{"3", "*", RowBox[{"sw", "/", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "3"}], "]"}], "]"}]}]}]}]}]}], "]"}], "\[IndentingNewLine]", RowBox[{"For", "[", RowBox[{ RowBox[{"i", "=", "1"}], " ", ",", RowBox[{"i", "<", "11"}], ",", RowBox[{"i", "++"}], ",", RowBox[{"Vee", "=", RowBox[{"Vee", "+", RowBox[{"3", "*", RowBox[{"sw", "/", "rlo"}]}]}]}]}], "]"}], "\[IndentingNewLine]", "Vee"}], "Input", CellChangeTimes->{{3.5689548890696163`*^9, 3.568955116299615*^9}, { 3.5689552553894596`*^9, 3.5689552575266633`*^9}, {3.5689552936875267`*^9, 3.5689553203323736`*^9}, {3.568955404229321*^9, 3.568955433245372*^9}, 3.5689554882822685`*^9, 3.5689562157115464`*^9, {3.568956283961666*^9, 3.5689562858180695`*^9}, {3.5689566111878405`*^9, 3.5689566291278725`*^9}, {3.5689566695319433`*^9, 3.5689567220104356`*^9}, {3.5690810958835616`*^9, 3.569081104525977*^9}, { 3.5691717160681796`*^9, 3.569171751714242*^9}, {3.5691717855663013`*^9, 3.5691719006789036`*^9}, 3.569234247377528*^9, {3.569235622381544*^9, 3.569235625142749*^9}, {3.5692356799612455`*^9, 3.569235740536152*^9}, { 3.57045575500149*^9, 3.5704557604770994`*^9}, {3.57046440981329*^9, 3.5704644333849316`*^9}, {3.5705963024877205`*^9, 3.5705963300061693`*^9}, {3.5706010463712544`*^9, 3.570601069225295*^9}, { 3.5706012097659416`*^9, 3.5706012109983435`*^9}, {3.570601290948484*^9, 3.570601291619285*^9}, {3.570601333099758*^9, 3.570601444951955*^9}, 3.5706014761208096`*^9, {3.570601526633698*^9, 3.570601615179454*^9}, { 3.5708576202336864`*^9, 3.5708576267544985`*^9}, {3.5708577990100007`*^9, 3.5708578016152053`*^9}, {3.5708580423548284`*^9, 3.570858044429632*^9}, { 3.570858075754487*^9, 3.5708581072821426`*^9}, {3.570858449889944*^9, 3.5708585756105647`*^9}, {3.572795632149378*^9, 3.5727956355657835`*^9}, { 3.5728516649872932`*^9, 3.5728517189321885`*^9}, {3.572851825152775*^9, 3.572851850284419*^9}, {3.5728520019946856`*^9, 3.572852210645052*^9}, 3.573124800838154*^9, {3.573322145410615*^9, 3.573322167859054*^9}, { 3.573322202803116*^9, 3.573322232630368*^9}, {3.5733683306427617`*^9, 3.5733683367267723`*^9}, {3.5733684056944933`*^9, 3.573368412932906*^9}, { 3.5733695833093615`*^9, 3.5733696100478086`*^9}, {3.5733696433694673`*^9, 3.573369694568757*^9}, {3.5733697316344223`*^9, 3.5733697335688257`*^9}, { 3.573369920425954*^9, 3.5733699263851643`*^9}, {3.57336995814682*^9, 3.573370085162243*^9}, {3.5733701175791*^9, 3.573370122087508*^9}, { 3.5733701577803707`*^9, 3.5733701630219803`*^9}, {3.573370193660434*^9, 3.573370198262442*^9}, {3.5746729482125616`*^9, 3.5746729642181897`*^9}, { 3.5746730450731316`*^9, 3.5746730625763626`*^9}, {3.574674580516679*^9, 3.5746746053675222`*^9}, {3.574674636692377*^9, 3.574674639859183*^9}, { 3.574743595854156*^9, 3.574743647131446*^9}}], Cell[BoxData[ RowBox[{ RowBox[{"(*", " ", RowBox[{ RowBox[{"all", " ", "nuclei", " ", "with", " ", "all", " ", "clouds"}], ",", " ", RowBox[{ RowBox[{"except", " ", "i"}], " ", "=", " ", "j"}]}], " ", "*)"}], "\[IndentingNewLine]", RowBox[{"Vne", "=", RowBox[{"cnv", ".", RowBox[{"(", RowBox[{"ow", ".", "dcw"}], ")"}]}]}]}]], "Input", CellChangeTimes->{ 3.569233528637466*^9, 3.5692342309507*^9, {3.5704557844231415`*^9, 3.570455793127957*^9}}], Cell[BoxData[ RowBox[{"(*", " ", RowBox[{ "core", " ", "nuclei", " ", "in", " ", "their", " ", "cloud", " ", "centers"}], " ", "*)"}]], "Input", CellChangeTimes->{{3.5688982251756487`*^9, 3.5688986440675845`*^9}, { 3.5688986873108606`*^9, 3.56889871560931*^9}, {3.5688987970414534`*^9, 3.5688988526711507`*^9}, {3.568898887147211*^9, 3.568898888644814*^9}, { 3.5688989206248703`*^9, 3.568899041759083*^9}, {3.5688990876855636`*^9, 3.568899258349863*^9}, 3.568899300267137*^9, {3.568899351326027*^9, 3.5688993831032825`*^9}, {3.5688994370481772`*^9, 3.568899468217032*^9}, { 3.5688995813016305`*^9, 3.5688997165538683`*^9}, {3.5688998495129013`*^9, 3.568899932364647*^9}, {3.568899967667509*^9, 3.568900024529609*^9}, { 3.5689000794261055`*^9, 3.568900136257005*^9}, {3.5689001767858763`*^9, 3.56890020149632*^9}, {3.568902068726*^9, 3.568902074139209*^9}, 3.56890216040736*^9, 3.568902344113283*^9, {3.5689024237982235`*^9, 3.56890243907065*^9}, 3.5689025770684924`*^9, {3.568910195129884*^9, 3.5689102262831383`*^9}, {3.5689126851126575`*^9, 3.5689126875306616`*^9}, {3.5690878255169816`*^9, 3.569087857185037*^9}, { 3.5691452963224173`*^9, 3.569145370484948*^9}, {3.5691454640695124`*^9, 3.5691454653799143`*^9}, {3.5691523784970884`*^9, 3.569152451988817*^9}, { 3.569152629610729*^9, 3.5691526609667845`*^9}}], Cell[BoxData[{ RowBox[{"For", "[", RowBox[{ RowBox[{"i", "=", "1"}], ",", RowBox[{"i", "<", RowBox[{"bc", "+", "1"}]}], ",", RowBox[{"i", "++"}], ",", RowBox[{"Vne", "=", RowBox[{"Vne", "-", RowBox[{"3", "*", RowBox[{ RowBox[{"cn", "[", RowBox[{"[", "i", "]"}], "]"}], "/", RowBox[{"u2", "[", RowBox[{"[", "i", "]"}], "]"}]}]}]}]}]}], "]"}], "\[IndentingNewLine]", "Vne"}], "Input", CellChangeTimes->{{3.5688982251756487`*^9, 3.5688986440675845`*^9}, { 3.5688986873108606`*^9, 3.56889871560931*^9}, {3.5688987970414534`*^9, 3.5688988526711507`*^9}, {3.568898887147211*^9, 3.568898888644814*^9}, { 3.5688989206248703`*^9, 3.568899041759083*^9}, {3.5688990876855636`*^9, 3.568899258349863*^9}, 3.568899300267137*^9, {3.568899351326027*^9, 3.5688993831032825`*^9}, {3.5688994370481772`*^9, 3.568899468217032*^9}, { 3.5688995813016305`*^9, 3.5688997165538683`*^9}, {3.5688998495129013`*^9, 3.568899932364647*^9}, {3.568899967667509*^9, 3.568900024529609*^9}, { 3.5689000794261055`*^9, 3.568900136257005*^9}, {3.5689001767858763`*^9, 3.56890020149632*^9}, {3.568902068726*^9, 3.568902074139209*^9}, 3.56890216040736*^9, 3.568902344113283*^9, {3.5689024237982235`*^9, 3.56890243907065*^9}, 3.5689025770684924`*^9, {3.568910195129884*^9, 3.5689102262831383`*^9}, {3.5689126851126575`*^9, 3.5689126875306616`*^9}, {3.5690878255169816`*^9, 3.569087857185037*^9}, { 3.5691452963224173`*^9, 3.569145370484948*^9}, {3.5691454640695124`*^9, 3.5691454653799143`*^9}, {3.5691523784970884`*^9, 3.569152451988817*^9}, { 3.569152629610729*^9, 3.5691526649915915`*^9}, 3.569170044088443*^9}], Cell[BoxData[ RowBox[{ RowBox[{"(*", " ", RowBox[{ RowBox[{ "protons", " ", "in", " ", "their", " ", "bonding", " ", "cloud"}], ",", " ", RowBox[{"distance", " ", RowBox[{"u2", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "]"}], "]"}], " ", "to", " ", "cloud", " ", "center"}]}], " ", "*)"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"For", "[", RowBox[{ RowBox[{"i", "=", RowBox[{"cw", "+", "1"}]}], ",", RowBox[{"i", "<", RowBox[{"nb", "+", "1"}]}], ",", RowBox[{"i", "++"}], ",", RowBox[{"Vne", "=", RowBox[{"Vne", "-", RowBox[{ RowBox[{"(", RowBox[{"3", "-", RowBox[{ RowBox[{"(", RowBox[{ RowBox[{"u2", "[", RowBox[{"[", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "1"}], "]"}], "]"}], "]"}], "]"}], "/", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "3"}], "]"}], "]"}]}], ")"}], "^", "2"}]}], ")"}], "/", RowBox[{"a", "[", RowBox[{"[", RowBox[{"i", ",", "3"}], "]"}], "]"}]}]}]}]}], "]"}], "\[IndentingNewLine]", "Vne"}]}]], "Input", CellChangeTimes->{{3.5692316245917215`*^9, 3.5692316336397376`*^9}}], Cell[BoxData[ RowBox[{ RowBox[{"(*", " ", RowBox[{"nucleus", "-", "nucleus"}], " ", "*)"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"For", "[", RowBox[{ RowBox[{"i", "=", "1"}], ",", RowBox[{"i", "<", "n"}], ",", RowBox[{"i", "++"}], ",", "\[IndentingNewLine]", RowBox[{"For", "[", RowBox[{ RowBox[{"j", "=", RowBox[{"i", "+", "1"}]}], ",", RowBox[{"j", "<", RowBox[{"n", "+", "1"}]}], ",", RowBox[{"j", "++"}], ",", RowBox[{"Vnn", "=", RowBox[{"Vnn", "+", RowBox[{ RowBox[{"cn", "[", RowBox[{"[", "i", "]"}], "]"}], "*", RowBox[{ RowBox[{"cn", "[", RowBox[{"[", "j", "]"}], "]"}], "/", RowBox[{"dc", "[", RowBox[{"[", RowBox[{"i", ",", "j"}], "]"}], "]"}]}]}]}]}]}], "]"}]}], "]"}], "\[IndentingNewLine]", "Vnn"}]}]], "Input", CellChangeTimes->{{3.5688982251756487`*^9, 3.5688986440675845`*^9}, { 3.5688986873108606`*^9, 3.56889871560931*^9}, {3.5688987970414534`*^9, 3.5688988526711507`*^9}, {3.568898887147211*^9, 3.568898888644814*^9}, { 3.5688989206248703`*^9, 3.568899041759083*^9}, {3.5688990876855636`*^9, 3.568899258349863*^9}, 3.568899300267137*^9, {3.568899351326027*^9, 3.5688993831032825`*^9}, {3.5688994370481772`*^9, 3.568899468217032*^9}, { 3.5688995813016305`*^9, 3.5688997165538683`*^9}, {3.5688998495129013`*^9, 3.568899932364647*^9}, {3.568899967667509*^9, 3.568900024529609*^9}, { 3.5689000794261055`*^9, 3.568900136257005*^9}, {3.5689001767858763`*^9, 3.56890020149632*^9}, {3.568902068726*^9, 3.568902074139209*^9}, 3.56890216040736*^9, 3.568902344113283*^9, {3.5689024237982235`*^9, 3.56890243907065*^9}, 3.5689025770684924`*^9, {3.568910195129884*^9, 3.5689102262831383`*^9}, {3.5689126851126575`*^9, 3.5689126875306616`*^9}, {3.5690878255169816`*^9, 3.569087857185037*^9}, { 3.5691452963224173`*^9, 3.569145370484948*^9}, {3.5691454640695124`*^9, 3.5691454653799143`*^9}, {3.5691523784970884`*^9, 3.569152451988817*^9}, { 3.569152629610729*^9, 3.5691526609667845`*^9}, 3.5691527650033674`*^9, { 3.5691528050174375`*^9, 3.5691528220994673`*^9}, {3.5691528694611506`*^9, 3.5691529180864363`*^9}, {3.5691531888249116`*^9, 3.569153192974519*^9}, 3.569153245359411*^9, {3.5691532970111017`*^9, 3.5691533046239147`*^9}, { 3.5691708905147295`*^9, 3.56917090235515*^9}, {3.5691714357512875`*^9, 3.569171449775712*^9}, 3.56917197825784*^9}], Cell[BoxData[ RowBox[{ RowBox[{"(*", " ", RowBox[{ RowBox[{ "now", " ", "add", " ", "the", " ", "energy", " ", "terms", " ", "of", " ", RowBox[{"Cl", "[", "Ne", "]"}], "7"}], "+", " ", RowBox[{"from", " ", "Ne_s24b2", RowBox[{"_atoms", ".", "nb"}]}]}], " ", "*)"}], "\[IndentingNewLine]", RowBox[{ "Vee", "\[IndentingNewLine]", "Vnn", "\[IndentingNewLine]", "Vne", "\[IndentingNewLine]", RowBox[{"Tpi", " ", "=", " ", RowBox[{"2.296", "*", "cj", "*", "0.5", "*", "1.125", "*", RowBox[{"(", RowBox[{ RowBox[{"1", "/", RowBox[{"rpo", "^", "2"}]}], "+", RowBox[{"1", "/", RowBox[{"rpi", "^", "2"}]}]}], ")"}]}]}], " ", RowBox[{"(*", " ", RowBox[{"pi", " ", "kin", " ", "e", " ", "added"}], " ", "*)"}], "\[IndentingNewLine]", RowBox[{"Tlp", " ", "=", RowBox[{"10", "*", "2.25", "*", RowBox[{"(", RowBox[{"1", "/", RowBox[{"rlo", "^", "2"}]}], ")"}]}]}], "\[IndentingNewLine]", RowBox[{"Vtot", "=", RowBox[{"Vne", "+", "Vee", "+", "Vnn"}]}], "\[IndentingNewLine]", RowBox[{"Ttot", " ", "=", RowBox[{"Ttot", "+", "Tpi", "+", "Tlp"}]}], "\[IndentingNewLine]", RowBox[{"Vir", " ", "=", RowBox[{ RowBox[{"-", "Vtot"}], "/", "Ttot"}]}], "\[IndentingNewLine]", RowBox[{"Etot", "=", RowBox[{"Ttot", "+", "Vtot"}]}], "\[IndentingNewLine]"}]}]], "Input", CellChangeTimes->{{3.5689074950860367`*^9, 3.5689075109980645`*^9}, { 3.568910298074465*^9, 3.5689103015064707`*^9}, {3.568910724064413*^9, 3.5689107693044925`*^9}, {3.568955368910859*^9, 3.568955378629676*^9}, { 3.568955601366867*^9, 3.568955616218093*^9}, {3.5704638504275074`*^9, 3.570463876370353*^9}, {3.570464305074706*^9, 3.5704643133895206`*^9}, { 3.570464352171189*^9, 3.570464353231991*^9}, {3.570712404698539*^9, 3.5707124150569572`*^9}, {3.570809962851386*^9, 3.5708101493809137`*^9}, { 3.5708102160710306`*^9, 3.570810245165082*^9}, {3.5708102767551374`*^9, 3.5708103693413*^9}, {3.570810404207361*^9, 3.5708104232081947`*^9}, { 3.5708104788690925`*^9, 3.5708104825818987`*^9}, {3.5708105169643593`*^9, 3.570810517884761*^9}, {3.570810561767638*^9, 3.5708105625476394`*^9}, { 3.5708106179589367`*^9, 3.570810645648985*^9}, {3.5708552812279787`*^9, 3.570855300572013*^9}, {3.5718406368324184`*^9, 3.5718406454592333`*^9}, 3.57184067742369*^9, {3.572851887958485*^9, 3.5728519643206196`*^9}, 3.573124110349741*^9, 3.5731249811744704`*^9, {3.573321827294856*^9, 3.573321828074857*^9}, {3.5733218842973557`*^9, 3.573322060546466*^9}, { 3.5733223511749763`*^9, 3.573322362562996*^9}, {3.5733662939947844`*^9, 3.573366334227255*^9}, {3.573366373336523*^9, 3.5733663802005353`*^9}, { 3.5733670479305086`*^9, 3.573367141577473*^9}, {3.573367235162038*^9, 3.5733672396704454`*^9}, {3.5733673160013795`*^9, 3.573367336141015*^9}, { 3.57337971917793*^9, 3.573379817005702*^9}, {3.5733798503429604`*^9, 3.5733798602021775`*^9}, 3.574672644355228*^9, {3.5746726806096916`*^9, 3.5746727600450315`*^9}, {3.5747435066375995`*^9, 3.574743512113209*^9}, { 3.574828574792988*^9, 3.57482858761621*^9}}] }, WindowSize->{815, 949}, WindowMargins->{{367, Automatic}, {Automatic, 6}}, PrintingCopies->1, PrintingPageRange->{32000, 32000}, PrintingOptions->{"Magnification"->1., "PaperOrientation"->"Portrait", "PaperSize"->{595.2, 841.8}}, FrontEndVersion->"9.0 for Microsoft Windows (64-bit) (January 25, 2013)", StyleDefinitions->"Default.nb" ] (* End of Notebook Content *) (* Internal cache information *) (*CellTagsOutline CellTagsIndex->{} *) (*CellTagsIndex CellTagsIndex->{} *) (*NotebookFileOutline Notebook[{ Cell[557, 20, 1958, 33, 52, "Input"], Cell[2518, 55, 357, 7, 52, "Input"], Cell[2878, 64, 755, 15, 52, "Input"], Cell[3636, 81, 685, 12, 31, "Input"], Cell[4324, 95, 955, 14, 31, "Input"], Cell[5282, 111, 1560, 29, 31, "Input"], Cell[6845, 142, 1419, 23, 31, "Input"], Cell[8267, 167, 1592, 29, 31, "Input"], Cell[9862, 198, 1234, 18, 31, "Input"], Cell[11099, 218, 697, 14, 31, "Input"], Cell[11799, 234, 908, 24, 31, "Input"], Cell[12710, 260, 6296, 131, 172, "Input"], Cell[19009, 393, 519, 12, 31, "Input"], Cell[19531, 407, 1428, 39, 92, "Input"], Cell[20962, 448, 827, 23, 92, "Input"], Cell[21792, 473, 359, 7, 52, "Input"], Cell[22154, 482, 1824, 35, 72, "Input"], Cell[23981, 519, 5231, 128, 272, "Input"], Cell[29215, 649, 1442, 19, 30, "Text"], Cell[30660, 670, 1997, 39, 52, "Input"], Cell[32660, 711, 1331, 36, 72, "Input"], Cell[33994, 749, 4977, 90, 92, "Input"], Cell[38974, 841, 1027, 14, 31, "Input"], Cell[40004, 857, 3846, 83, 152, "Input"], Cell[43853, 942, 2072, 49, 112, "Input"], Cell[45928, 993, 561, 12, 52, "Input"], Cell[46492, 1007, 2148, 49, 92, "Input"], Cell[48643, 1058, 2452, 56, 112, "Input"], Cell[51098, 1116, 3677, 96, 192, "Input"], Cell[54778, 1214, 2075, 35, 72, "Input"], Cell[56856, 1251, 3969, 94, 172, "Input"], Cell[60828, 1347, 2672, 54, 132, "Input"], Cell[63503, 1403, 739, 22, 92, "Input"], Cell[64245, 1427, 2771, 55, 92, "Input"], Cell[67019, 1484, 4820, 136, 232, "Input"], Cell[71842, 1622, 5267, 128, 252, "Input"], Cell[77112, 1752, 11921, 200, 252, "Input"], Cell[89036, 1954, 9149, 139, 152, "Input"], Cell[98188, 2095, 8269, 113, 49, "Text"], Cell[106460, 2210, 2966, 67, 112, "Input"], Cell[109429, 2279, 13265, 308, 1172, "Input"], Cell[122697, 2589, 400, 7, 49, "Text"], Cell[123100, 2598, 1368, 20, 31, "Input"], Cell[124471, 2620, 2133, 44, 72, "Input"], Cell[126607, 2666, 1824, 34, 72, "Input"], Cell[128434, 2702, 20682, 507, 1472, "Input"], Cell[149119, 3211, 2583, 36, 49, "Text"], Cell[151705, 3249, 4118, 81, 172, "Input"], Cell[155826, 3332, 22762, 538, 1532, "Input"], Cell[178591, 3872, 3073, 58, 92, "Input"], Cell[181667, 3932, 939, 17, 72, "Input"], Cell[182609, 3951, 10201, 233, 192, "Input"], Cell[192813, 4186, 6427, 103, 72, "Input"], Cell[199243, 4291, 10215, 234, 192, "Input"], Cell[209461, 4527, 5925, 93, 92, "Input"], Cell[215389, 4622, 12588, 227, 252, "Input"], Cell[227980, 4851, 15946, 304, 532, "Input"], Cell[243929, 5157, 4855, 104, 172, "Input"], Cell[248787, 5263, 2499, 47, 92, "Input"], Cell[251289, 5312, 1841, 29, 52, "Input"], Cell[253133, 5343, 4971, 109, 192, "Input"], Cell[258107, 5454, 5765, 107, 92, "Input"], Cell[263875, 5563, 4670, 80, 112, "Input"], Cell[268548, 5645, 2695, 47, 112, "Input"], Cell[271246, 5694, 2066, 30, 31, "Input"], Cell[273315, 5726, 2963, 56, 112, "Input"], Cell[276281, 5784, 1636, 37, 92, "Input"], Cell[277920, 5823, 3899, 81, 132, "Input"], Cell[281822, 5906, 499, 15, 52, "Input"], Cell[282324, 5923, 1381, 21, 31, "Input"], Cell[283708, 5946, 1709, 32, 52, "Input"], Cell[285420, 5980, 1415, 43, 72, "Input"], Cell[286838, 6025, 2550, 50, 92, "Input"], Cell[289391, 6077, 3208, 61, 232, "Input"] } ] *) (* End of internal cache information *)