Model name: model_name=EAM_Dynamo_MendelevKing_2008_Cu__MO_748636486270_005 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Cu Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.6390298828482632 cohesive_energy=3.422988348542933 mass=63.546 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=60.0 Max. denominator: max_denominator=8 Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5 Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.015998807073611995 Energy: 0.4571587837274915 Energy: 1.1494541396822457 Energy: 0.4572386108780895 Energy: 0.0159988070740893 Energy: 0.4571587837289796 Energy: 0.4836010052691963 Energy: 0.48315841198165016 Energy: 0.01648462340514064 Energy: 0.2371116442679389 Energy: 0.01654423353320352 Energy: 0.48315841198165016 Energy: 0.016484623406881393 Energy: 0.23711164426645082 Energy: 0.015998807073611995 Energy: 0.4571587837277442 Energy: 1.1494541396815159 Energy: 0.4572386108785667 Energy: 0.015998807073864686 Energy: 0.45715878372872687 Energy: 0.48360100526821365 Energy: 0.48315841198165016 Energy: 0.01648462340539333 Energy: 0.23711164426768622 Energy: 0.016544233532698138 Energy: 0.48315841198142556 Energy: 0.016484623406628703 Energy: 0.2371116442669562 Energy: 0.015998807073611995 Energy: 0.45715878372796886 Energy: 1.2288391229961095 Energy: 0.4572386108780895 Energy: 0.0159988070740893 Energy: 0.45715878372872687 Energy: 0.4836010052691963 Energy: 0.48315841198190285 Energy: 0.01648462340514064 Energy: 0.2371116442679389 Energy: 0.01654423353295083 Energy: 0.4831584119811728 Energy: 0.016484623406628703 Energy: 0.2371116442669562 minimum gb energy = 0.015998807073611995 eV minimum distance = 2.55068848260911 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 1.0885322543809937 Energy: 1.0726634526781837 Energy: 1.0861397907945922 Energy: 1.0724303756304365 Energy: 1.088532254390049 Energy: 1.072663452669128 Energy: 1.0776714846600415 Energy: 1.0126958142382754 Energy: 1.0367290464435523 Energy: 1.0872312299670723 Energy: 1.0312707275958855 Energy: 1.0126958142443123 Energy: 1.0367290464465708 Energy: 1.0872312299640539 Energy: 1.0073621011119072 Energy: 1.0053932065434015 Energy: 1.0697897649026824 Energy: 1.0222318032758242 Energy: 1.0073621011119072 Energy: 1.005393206534346 Energy: 1.0697897648906085 Energy: 1.075766725626363 Energy: 1.0363794157775277 Energy: 1.0741738546431934 Energy: 1.024369813784709 Energy: 1.0757667256293815 Energy: 1.0363794157775277 Energy: 1.0741738546462118 Energy: 1.0175709315240324 Energy: 0.9963855492586632 Energy: 1.0800032042362349 Energy: 1.0127794937610954 Energy: 1.0175709315179953 Energy: 0.9963855492465892 Energy: 1.0800032042392531 Energy: 1.0477972339018566 Energy: 1.0180217558815192 Energy: 1.031993472312486 Energy: 1.034157797707803 Energy: 1.0477972339139305 Energy: 1.018021755869445 Energy: 1.031993472318523 Energy: 1.0021966014706778 Energy: 1.0474230610265667 Energy: 1.1170406527209675 Energy: 1.0176238968901572 Energy: 1.0021966014677142 Energy: 1.0474230610084558 Energy: 1.1290298984260767 Energy: 1.0045734588234763 Energy: 1.0097903195638434 Energy: 1.1189175003528211 Energy: 1.0051750653161289 Energy: 1.004573458832532 Energy: 1.0097903195788807 Energy: 1.118917500383006 Energy: 0.991388429142907 Energy: 1.02419571234715 Energy: 1.0881148291768188 Energy: 1.0143289196100296 Energy: 0.991388429167055 Energy: 1.0241957123350758 Energy: 1.0881148291828557 Energy: 1.0140700033685326 Energy: 1.0351979538753826 Energy: 1.0804423383893305 Energy: 1.020104737058221 Energy: 1.0140700033534402 Energy: 1.0351979538814196 Energy: 1.080442338368201 Energy: 1.016827220121606 Energy: 1.0172239527691085 Energy: 1.0544062160868766 Energy: 1.061121010092117 Energy: 1.0168272201276431 Energy: 1.0172239527932017 Energy: 1.054406216089895 Energy: 1.0368628921306657 Energy: 1.0589979514523105 Energy: 1.0677330441200874 Energy: 1.0064456393292167 Energy: 1.0368628921276473 Energy: 1.0589979514372727 Energy: 1.0677330441291426 Energy: 1.0980056921581385 Energy: 1.0718568312791577 Energy: 1.1026805936445783 Energy: 1.037424179940187 Energy: 1.0980056921521015 Energy: 1.0718568312821763 Energy: 1.1026805936536337 Energy: 1.0019612195937966 Energy: 1.0581069519772608 Energy: 1.0931687229446279 Energy: 1.006156907951058 Energy: 1.0019612195998333 Energy: 1.0581069519802795 Energy: 1.0931687229355727 Energy: 1.0134330686967277 Energy: 1.0144778008706803 Energy: 1.0885412369725311 Energy: 1.019882323627471 Energy: 1.0134330686967277 Energy: 1.014477800861625 Energy: 1.0885412369846053 Energy: 1.0553608078754857 Energy: 1.1011076255007388 Energy: 1.1147543617566735 Energy: 1.0887962165151772 Energy: 1.0553608078754857 Energy: 1.101107625512813 Energy: 1.114754361765729 Energy: 1.0064588258775748 Energy: 1.0270343804130915 Energy: 1.0330682519165157 Energy: 1.030685997723749 Energy: 1.0064588259047413 Energy: 1.0270343804161102 Energy: 1.0330682519014782 Energy: 1.0053295356312426 Energy: 0.9970185281809322 Energy: 1.0645718468893255 Energy: 1.0342987615406818 Energy: 1.0053295356553904 Energy: 0.9970185281779137 Energy: 1.0645718469013996 Energy: 1.0308560107067202 Energy: 1.0144232577470542 Energy: 1.105261691638174 Energy: 1.0240233892876993 Energy: 1.0308560106976645 Energy: 1.014423257725925 Energy: 1.1052616916140259 Energy: 1.0137792509126289 Energy: 0.9974051301945319 Energy: 1.0622847507814435 Energy: 1.0138403458463547 Energy: 1.0137792509247028 Energy: 0.9974051301825129 Energy: 1.0622847507754065 Energy: 1.001863163240971 Energy: 1.0278719049183422 Energy: 1.0835683564730103 Energy: 1.014840246649581 Energy: 1.001863163240971 Energy: 1.0278719049153238 Energy: 1.0835683564548992 Energy: 1.002434843594257 Energy: 1.0127738417028753 Energy: 1.0791826112080205 Energy: 1.0104841342124586 Energy: 1.0024348435791641 Energy: 1.012773841711931 Energy: 1.079182611223113 Energy: 1.012561928403639 Energy: 1.0034128239889368 Energy: 1.137351445323912 Energy: 1.039030031530879 Energy: 1.012561928415658 Energy: 1.0034128239919555 Energy: 1.137351445323912 Energy: 1.0399125980841437 Energy: 1.0124992256681073 Energy: 1.0458384605197053 Energy: 1.050753455751355 Energy: 1.039912598093199 Energy: 1.0124992256771628 Energy: 1.0458384605317794 Energy: 1.0149947135406832 Energy: 1.0341859422833453 Energy: 1.0794581456678773 Energy: 1.0136443164534181 Energy: 1.0149947135255908 Energy: 1.0341859422954192 Energy: 1.079458145682915 Energy: 1.014651672276772 Energy: 1.0174516548499166 Energy: 1.0722003616331321 Energy: 1.048978315627134 Energy: 1.0146516722858274 Energy: 1.017451654865009 Energy: 1.0722003616270952 Energy: 1.0727130547705708 Energy: 1.0032505874789852 Energy: 1.0923427737136224 Energy: 1.0173785866849576 Energy: 1.0727130547645338 Energy: 1.0032505874820037 Energy: 1.0923427737015485 Energy: 1.051493164962125 Energy: 1.099118120457663 Energy: 1.0900807113080622 Energy: 1.1075778946961916 Energy: 1.051493164950106 Energy: 1.099118120451626 Energy: 1.0900807113261732 Energy: 1.0459205614217357 Energy: 1.0259905425938467 Energy: 1.0998277620863062 Energy: 1.0014825595851649 Energy: 1.0459205614307912 Energy: 1.0259905425878098 Energy: 1.099827762068195 Energy: 1.0013736759327232 Energy: 1.0083296920566664 Energy: 1.129502517934224 Energy: 1.019046244581562 Energy: 1.0013736759417788 Energy: 1.008329692059685 Energy: 1.129502517934224 Energy: 1.0145481150517923 Energy: 1.0477244973105706 Energy: 1.0689091505573252 Energy: 1.0479685579761482 Energy: 1.0145481150397184 Energy: 1.0477244973105706 Energy: 1.0689091505512882 Energy: 1.041034963424175 Energy: 1.006153353355421 Energy: 1.0237046138742232 Energy: 1.0256630239513351 Energy: 1.0410349634271934 Energy: 1.006153353361458 Energy: 1.0237046138893158 Energy: 1.015191132026287 Energy: 1.0400622032825204 Energy: 1.107031348601319 Energy: 1.0030739266831892 Energy: 1.0151911320353424 Energy: 1.040062203279502 Energy: 1.1070313485983008 Energy: 1.015962395473301 Energy: 1.0035756684212387 Energy: 1.079144436901629 Energy: 1.0052172347196244 Energy: 1.0159623954642456 Energy: 1.003575668424257 Energy: 1.07914443691974 Energy: 1.0016963253197626 Energy: 1.0058208762779839 Energy: 1.0554691750403924 Energy: 1.026674166908239 Energy: 1.0016963253257996 Energy: 1.0058208762568543 Energy: 1.0554691750494478 Energy: 1.0137164782360795 Energy: 1.035065927567366 Energy: 1.0720185196102718 Energy: 1.0199451173659537 Energy: 1.013716478227024 Energy: 1.035065927567366 Energy: 1.0720185196042349 Energy: 0.9912201596318846 Energy: 1.024258641303057 Energy: 1.1125849648740604 Energy: 1.014040304727077 Energy: 0.9912201596228292 Energy: 1.0242586412849461 Energy: 1.1125849648861343 Energy: 0.9978212446818989 Energy: 1.006051934422891 Energy: 1.0722230464576439 Energy: 1.0136614253126872 Energy: 0.9978212446909543 Energy: 1.006051934422891 Energy: 1.0722230464666993 Energy: 1.0409760835106918 Energy: 1.0358831543937959 Energy: 1.0579977438268187 Energy: 1.037261583849575 Energy: 1.0409760835076736 Energy: 1.0358831543937959 Energy: 1.0579977438328558 Energy: 1.0599393325075874 Energy: 1.045318003895125 Energy: 1.0818138361709126 Energy: 1.074514703714996 Energy: 1.0599393324955135 Energy: 1.0453180038921064 Energy: 1.0818138361890237 Energy: 1.0531715808579614 Energy: 1.0170039265741655 Energy: 1.0727148102834452 Energy: 1.0549580631271642 Energy: 1.0531715808458872 Energy: 1.0170039265620916 Energy: 1.0727148102834452 Energy: 1.0600366828686045 Energy: 1.0062157140728063 Energy: 1.0929060072493078 Energy: 1.0181434374486817 Energy: 1.0600366828655858 Energy: 1.0062157140788435 Energy: 1.092906007231197 Energy: 1.1329804516487016 Energy: 1.0370786997118735 Energy: 1.0857054209422776 Energy: 1.0682725645267843 Energy: 1.1329804516487016 Energy: 1.0370786997118735 Energy: 1.0857054209362407 Energy: 1.046058764836442 Energy: 1.0458369491085289 Energy: 1.0677723342956253 Energy: 1.035389646687946 Energy: 1.0460587648454973 Energy: 1.0458369491175843 Energy: 1.0677723342895882 Energy: 0.9912642747990282 Energy: 1.021427537191513 Energy: 1.1125863846246389 Energy: 1.0192983957106823 Energy: 0.9912642748020466 Energy: 1.021427537167365 Energy: 1.1125863846155832 Energy: 1.0135208684133499 Energy: 1.0548126275163001 Energy: 1.1180093749897126 Energy: 1.049220538621449 Energy: 1.0135208684193868 Energy: 1.0548126275072447 Energy: 1.118009374992731 Energy: 0.9912863616021701 Energy: 1.0289610815521202 Energy: 1.0653062806866151 Energy: 1.015743431987047 Energy: 0.991286361590096 Energy: 1.0289610815279722 Energy: 1.0653062806715776 minimum gb energy = 0.9912201596228292 eV minimum distance = 2.1757402578126 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 1.0075881807249825 Energy: 1.1013774257903064 Energy: 1.1374569224400788 Energy: 1.10150374710373 Energy: 1.0075881807229266 Energy: 1.1013774257824571 Energy: 1.1295191390291945 Energy: 1.00067810229117 Energy: 1.0186833944495377 Energy: 1.122630476791712 Energy: 1.030752611193651 Energy: 1.0006781022980225 Energy: 1.0186833944505966 Energy: 1.1226304768040463 Energy: 1.004729449937125 Energy: 1.0174741832604983 Energy: 1.0985008388611366 Energy: 1.0219616998485193 Energy: 1.0047294499193085 Energy: 1.017474183260872 Energy: 1.0985008388727862 Energy: 1.0370083807096449 Energy: 1.0314114999030217 Energy: 1.0575394451936857 Energy: 1.0192352197442833 Energy: 1.037008380686346 Energy: 1.0314114998893162 Energy: 1.0575394452087614 Energy: 1.0368692158880037 Energy: 1.0336072463427375 Energy: 1.0909276411596365 Energy: 1.0322355124039626 Energy: 1.0368692158866333 Energy: 1.033607246299566 Energy: 1.089029872803729 Energy: 1.004180445857191 Energy: 1.0282553298285444 Energy: 1.0018234934023533 Energy: 1.0164627858081046 Energy: 1.004180445869214 Energy: 1.0282553298237476 Energy: 1.001823493398927 Energy: 1.0041907294897816 Energy: 1.0351020063657705 Energy: 1.0487038201880172 Energy: 1.0187005119508652 Energy: 1.0041907294822439 Energy: 1.0351020063678265 Energy: 0.9959416078323773 Energy: 1.0041966918785032 Energy: 1.0187788002914215 Energy: 1.0715539170428443 Energy: 1.0349337890546677 Energy: 1.0041966918566372 Energy: 1.0187788002516764 Energy: 1.0715539170661432 Energy: 1.0041539047785648 Energy: 1.0384598438137795 Energy: 1.0675817302307116 Energy: 1.028262812930285 Energy: 1.004153904741249 Energy: 1.0384598438065533 Energy: 1.0713698197688006 Energy: 1.0368738664528743 Energy: 1.0322258890479077 Energy: 1.0792263179507158 Energy: 1.0336176758569222 Energy: 1.0368738664384838 Energy: 1.0322258890547602 Energy: 1.0531028395673527 Energy: 1.0370423335342844 Energy: 1.0191988265188527 Energy: 1.112270115658861 Energy: 1.0314210636637875 Energy: 1.03704233355858 Energy: 1.0191988265325582 Energy: 1.1122701156732515 Energy: 1.0047242499863605 Energy: 1.0219747826225007 Energy: 1.0935079491613156 Energy: 1.0172886443336076 Energy: 1.0047242499805669 Energy: 1.0219747826419998 Energy: 1.069661543778989 Energy: 1.000622589446568 Energy: 1.0307420776312117 Energy: 1.1355539868598226 Energy: 1.0186619509169876 Energy: 1.0006225894246394 Energy: 1.0307420776715799 Energy: 1.1355539868653048 Energy: 1.007588180723612 Energy: 1.1013774257909916 Energy: 1.1295191390189157 Energy: 1.10150374710373 Energy: 1.0075881807226152 Energy: 1.1013774257824571 Energy: 1.1374569224441902 Energy: 1.0006781022904845 Energy: 1.0186833944533378 Energy: 1.1226304767910265 Energy: 1.0307526111939624 Energy: 1.0006781022990814 Energy: 1.0186833944512819 Energy: 1.1226304768036728 Energy: 1.00472944993644 Energy: 1.0174741832595016 Energy: 1.0985008388618218 Energy: 1.021961699853316 Energy: 1.0047294499189348 Energy: 1.0174741832636132 Energy: 1.0985008388724746 Energy: 1.0370083807092711 Energy: 1.0314114999023363 Energy: 1.0575394451933744 Energy: 1.0192352197531918 Energy: 1.0370083806859722 Energy: 1.0314114998900017 Energy: 1.1134474952227262 Energy: 1.0368692158880037 Energy: 1.033607246343049 Energy: 1.1078930691361 Energy: 1.0322355124046476 Energy: 1.0368692158866333 Energy: 1.033607246299566 Energy: 1.0990675750551755 Energy: 1.004180445857191 Energy: 1.0282553298282329 Energy: 1.0522582432235985 Energy: 1.0164627858097866 Energy: 1.004180445869214 Energy: 1.0282553298237476 Energy: 1.042817275482557 Energy: 1.0041907294900931 Energy: 1.0351020063685117 Energy: 1.048703820188391 Energy: 1.0187005119446977 Energy: 1.0041907294825552 Energy: 1.035102006367515 Energy: 1.071258030179294 Energy: 1.0041966918785032 Energy: 1.0187788002924805 Energy: 1.0947871674085927 Energy: 1.03493378905093 Energy: 1.0041966918562635 Energy: 1.018778800254106 Energy: 1.0715539170675137 Energy: 1.0041539047789385 Energy: 1.0384598438144648 Energy: 1.07337192263981 Energy: 1.0282628129305966 Energy: 1.004153904741249 Energy: 1.038459843806927 Energy: 1.0713698197708563 Energy: 1.0368738664535595 Energy: 1.032225889048593 Energy: 1.0602965328723784 Energy: 1.0336176758569222 Energy: 1.036873866439169 Energy: 1.0322258890543865 Energy: 1.0531028395666677 Energy: 1.0370423335342844 Energy: 1.0191988265202234 Energy: 1.1122701156592347 Energy: 1.0314210636641614 Energy: 1.03704233355858 Energy: 1.0191988265233385 Energy: 1.1122701156732515 Energy: 1.0047242499863605 Energy: 1.0219747826218155 Energy: 1.093507949158886 Energy: 1.0172886443373454 Energy: 1.0047242499805669 Energy: 1.0219747826423735 Energy: 1.0696615437793007 Energy: 1.0006225894461942 Energy: 1.0307420776312117 Energy: 1.1355539868598226 Energy: 1.0186619509230928 Energy: 1.0006225894242657 Energy: 1.0307420776708947 Energy: 1.1355539868656785 Energy: 1.0075881807229266 Energy: 1.1013774257903064 Energy: 1.1374569224359672 Energy: 1.1015037471033562 Energy: 1.00758818072193 Energy: 1.1013774257827684 Energy: 1.1374569224393933 Energy: 1.0006781022904845 Energy: 1.018683394451967 Energy: 1.122630476791338 Energy: 1.0307526111939624 Energy: 1.0006781022990814 Energy: 1.0186833944461113 Energy: 1.122630476804358 Energy: 1.0047294499367514 Energy: 1.0174741832625542 Energy: 1.0985008388615103 Energy: 1.0219616998485193 Energy: 1.0047294499189348 Energy: 1.0174741832697807 Energy: 1.0985008388731599 Energy: 1.0370083807096449 Energy: 1.0314114999027102 Energy: 1.0575394451936857 Energy: 1.0192352197453423 Energy: 1.0370083806866575 Energy: 1.0314114998913724 Energy: 1.1134474952231002 Energy: 1.0368692158880037 Energy: 1.0336072463423638 Energy: 1.0754441868483307 Energy: 1.0322355124032774 Energy: 1.0368692158863217 Energy: 1.0336072462992547 Energy: 1.107893069144323 Energy: 1.004180445857191 Energy: 1.0282553298282329 Energy: 1.0296665521788357 Energy: 1.0164627858104718 Energy: 1.0041804458688404 Energy: 1.0282553298244328 Energy: 1.0587305934885125 Energy: 1.004190729489408 Energy: 1.0351020063685117 Energy: 1.0487038201897616 Energy: 1.0187005119498684 Energy: 1.00419072948187 Energy: 1.035102006366456 Energy: 1.0728574076925892 Energy: 1.0041966918781917 Energy: 1.0187788002863132 Energy: 1.0918618663224144 Energy: 1.034933789052986 Energy: 1.0041966918566372 Energy: 1.0187788002589029 Energy: 1.07155391706714 Energy: 1.0041539047785648 Energy: 1.0384598438158354 Energy: 1.0713698197564658 Energy: 1.0282628129299114 Energy: 1.0041539047416232 Energy: 1.038459843806927 Energy: 1.0713698197756532 Energy: 1.0368738664528743 Energy: 1.0322258890479077 Energy: 1.0531028395588182 Energy: 1.0336176758572337 Energy: 1.0368738664388575 Energy: 1.0322258890550717 Energy: 1.0531028395670414 Energy: 1.0370423335342844 Energy: 1.0191988265195382 Energy: 1.112270115658861 Energy: 1.0314210636637875 Energy: 1.03704233355858 Energy: 1.0191988265311878 Energy: 1.1122701156732515 Energy: 1.0047242499863605 Energy: 1.0219747826245567 Energy: 1.0696615437851564 Energy: 1.0172886443352895 Energy: 1.0047242499801932 Energy: 1.0219747826426848 Energy: 1.0696615437793007 Energy: 1.0006225894468794 Energy: 1.0307420776315233 Energy: 1.1355539868598226 Energy: 1.01866195092004 Energy: 1.0006225894242657 Energy: 1.0307420776702092 Energy: 1.13555398686599 Energy: 1.0075881807239857 Energy: 1.10137742579068 Energy: 1.1295191390192272 Energy: 1.10150374710373 Energy: 1.0075881807229266 Energy: 1.1013774257831423 Energy: 1.1295191390291945 Energy: 1.0006781022908584 Energy: 1.0186833944515934 Energy: 1.122630476791712 Energy: 1.030752611193651 Energy: 1.0006781022983962 Energy: 1.0186833944440556 Energy: 1.1226304768040463 minimum gb energy = 0.9959416078323773 eV minimum distance = 2.2304532861745 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 1.0939547769454603 Energy: 1.045664680290538 Energy: 1.058922086179788 Energy: 1.0458289808846921 Energy: 1.0939547769399214 Energy: 1.0456646802822296 Energy: 1.0750149765269532 Energy: 1.0745721514987971 Energy: 1.0389830230442425 Energy: 1.1270642630909469 Energy: 1.0412250006897457 Energy: 1.0745721515063145 Energy: 1.038983023043847 Energy: 1.1270642630893641 Energy: 1.0737329363604664 Energy: 1.0654647754820536 Energy: 1.1850725854754032 Energy: 1.0608967862336471 Energy: 1.0737329363604664 Energy: 1.06546477548601 Energy: 1.1477637067642623 Energy: 1.050913819636381 Energy: 1.034053696667378 Energy: 1.1435739901416504 Energy: 1.0361525093765451 Energy: 1.050913819635194 Energy: 1.034053696670507 Energy: 1.1435739901372985 Energy: 1.0868203737690971 Energy: 1.055405150870599 Energy: 1.066394188825269 Energy: 1.0648240682002983 Energy: 1.0868203737675146 Energy: 1.055405150876138 Energy: 1.098680074073852 Energy: 1.0567546111003896 Energy: 1.0339191724072994 Energy: 1.0659633917582898 Energy: 1.0231270455327166 Energy: 1.056754611101181 Energy: 1.0339191724124424 Energy: 1.065963391754729 Energy: 1.0633510992133015 Energy: 1.0669791702037192 Energy: 1.0933572762319403 Energy: 1.0547689529011317 Energy: 1.0633510992140929 Energy: 1.06697917020728 Energy: 1.0864869290654646 Energy: 1.0567654303846432 Energy: 1.0477334079980447 Energy: 1.14905296999661 Energy: 1.0727646669380577 Energy: 1.056765430385039 Energy: 1.0477334079936929 Energy: 1.1490529699918626 Energy: 1.0734790629841018 Energy: 1.0444262882460247 Energy: 1.1421063711752295 Energy: 1.0448154326843155 Energy: 1.073479062981728 Energy: 1.0444262882432553 Energy: 1.1791220318470472 Energy: 1.0445053507363469 Energy: 1.0635764974289457 Energy: 1.1071456740630394 Energy: 1.0845637973174462 Energy: 1.0445053507422815 Energy: 1.0635764974277588 Energy: 1.1071456740662045 Energy: 1.0945543391726413 Energy: 1.0808207840355857 Energy: 1.0749196215411587 Energy: 1.0231388597661117 Energy: 1.0945543391682893 Energy: 1.0808207840391464 Energy: 1.0749196215478845 Energy: 1.0882436745369208 Energy: 1.064229634046373 Energy: 1.1321566889464596 Energy: 1.0772410906342342 Energy: 1.0882436745301949 Energy: 1.0642296340455817 Energy: 1.1321566889488337 Energy: 1.0689623686128247 Energy: 1.0348613997143394 Energy: 1.1112010919347248 Energy: 1.0394813049258116 Energy: 1.068962368610451 Energy: 1.0348613997135483 Energy: 1.1112010919303728 Energy: 1.0576222993656597 Energy: 1.0590803563121416 Energy: 1.1531978287484057 Energy: 1.0684067623998292 Energy: 1.057622299366451 Energy: 1.059080356311746 Energy: 1.1531978287499884 Energy: 1.0952473766630877 Energy: 1.0348783324514725 Energy: 1.124280775452004 Energy: 1.0595409223201397 Energy: 1.0952473766650657 Energy: 1.0348783324514725 Energy: 1.1242807754539461 Energy: 1.0868550257154508 Energy: 1.0688077367014457 Energy: 1.1101864053261685 Energy: 1.057495924671618 Energy: 1.08685502571189 Energy: 1.0688077367042152 Energy: 1.1101864053198385 Energy: 1.0833409451946712 Energy: 1.0335088519693052 Energy: 1.0785713570320714 Energy: 1.0680958696420901 Energy: 1.0833409451926932 Energy: 1.0335088519665356 Energy: 1.0785713570372146 Energy: 1.0406410992578543 Energy: 1.0975257535794984 Energy: 1.0891173295067929 Energy: 1.0642133893589623 Energy: 1.0406410992629975 Energy: 1.0975257535779162 Energy: 1.089117329507584 Energy: 1.0631938169627126 Energy: 1.0505559198323233 Energy: 1.1364854065444738 Energy: 1.0673864993295001 Energy: 1.0631938169603388 Energy: 1.0505559198311365 Energy: 1.136485406540913 Energy: 1.0566607207431131 Energy: 1.0435412005406806 Energy: 1.1324531263687778 Energy: 1.0445995838164128 Energy: 1.0566607207423222 Energy: 1.0435412005343503 Energy: 1.1324531263640305 Energy: 1.06365517088809 Energy: 1.0606459743378196 Energy: 1.0988848022163737 Energy: 1.0784739933520815 Energy: 1.0636551708908593 Energy: 1.060645974339402 Energy: 1.098884802213209 Energy: 1.0665149414860025 Energy: 1.0434244265966088 Energy: 1.0750905804939823 Energy: 1.0235240304184712 Energy: 1.066514941489527 Energy: 1.0434244265970045 Energy: 1.075090580490817 Energy: 1.0868103193222998 Energy: 1.0546213609059065 Energy: 1.0984596199118262 Energy: 1.0553611236740046 Energy: 1.0868103193230911 Energy: 1.0546213609007633 Energy: 1.098459619916178 Energy: 1.040077537399483 Energy: 1.0341107545445676 Energy: 1.149311848509765 Energy: 1.0391763337773392 Energy: 1.0400775373943398 Energy: 1.0341107545457544 Energy: 1.1493118485065998 Energy: 1.055889049947733 Energy: 1.0547818170976875 Energy: 1.1006641195324869 Energy: 1.0623024016469038 Energy: 1.0558890499497113 Energy: 1.0547818171000611 Energy: 1.1006641195364433 Energy: 1.0735855622222317 Energy: 1.0383454556985041 Energy: 1.0881183202276634 Energy: 1.0614447552090327 Energy: 1.0735855622198578 Energy: 1.0383454556988998 Energy: 1.088118320228059 Energy: 1.1015542569111754 Energy: 1.050376165630666 Energy: 1.0993878658533074 Energy: 1.0458089678180948 Energy: 1.1015542569127579 Energy: 1.0503761656346224 Energy: 1.0993878658505378 Energy: 1.0985792251750794 Energy: 1.036301519138802 Energy: 1.1019598786286915 Energy: 1.0418334873290571 Energy: 1.0985792251675623 Energy: 1.0363015191407443 Energy: 1.101959878623548 Energy: 1.0623910199604378 Energy: 1.0691338754589526 Energy: 1.1674677683367758 Energy: 1.0583663493129212 Energy: 1.062391019963603 Energy: 1.0691338754589526 Energy: 1.167467768333215 Energy: 1.0403377234822282 Energy: 1.0558003391489168 Energy: 1.1084647660943312 Energy: 1.0355881418030704 Energy: 1.0403377234917233 Energy: 1.0558003391473703 Energy: 1.1084647660931444 Energy: 1.0799443741585923 Energy: 1.0554216516535444 Energy: 1.1041110233816132 Energy: 1.0545451437530944 Energy: 1.079944374160175 Energy: 1.0554216516547312 Energy: 1.104111023377657 Energy: 1.0574235702817845 Energy: 1.0234948329996767 Energy: 1.0800946256370216 Energy: 1.0217371353474674 Energy: 1.057423570277037 Energy: 1.023494832996512 Energy: 1.0800946256417694 Energy: 1.0606884837073391 Energy: 1.1107864650070414 Energy: 1.0881163337654727 Energy: 1.071537610658597 Energy: 1.0606884837089217 Energy: 1.110786465005459 Energy: 1.0881163337627031 Energy: 1.0578914857138146 Energy: 1.0476800895798233 Energy: 1.1636445588231836 Energy: 1.0707836051664132 Energy: 1.0578914857074844 Energy: 1.0476800895901097 Energy: 1.1636445588144795 Energy: 1.0632298546946697 Energy: 1.0444712899393598 Energy: 1.1382201262962313 Energy: 1.0519850101968595 Energy: 1.0632298546946697 Energy: 1.0444712899409425 Energy: 1.1382201262990008 Energy: 1.0408552501863384 Energy: 1.0615382042621089 Energy: 1.1322893211732066 Energy: 1.084576446993655 Energy: 1.0408552501851516 Energy: 1.0615382042617134 Energy: 1.1322893211763714 minimum gb energy = 1.0217371353474674 eV minimum distance = 2.23958902916589 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 1.0531297000735464 Energy: 1.0634158576507136 Energy: 1.10395417094054 Energy: 1.063390950292748 Energy: 1.053129700076348 Energy: 1.0634158576544488 Energy: 1.1039541709241973 Energy: 1.0411687103333127 Energy: 1.0350043281979917 Energy: 0.9645422215781848 Energy: 1.0334504161752418 Energy: 1.0411687103463865 Energy: 1.0350043281998595 Energy: 0.9645422215763172 Energy: 1.0532341192313368 Energy: 0.9876153011320028 Energy: 1.0511157828699011 Energy: 1.0364220605282861 Energy: 1.0532341192453445 Energy: 0.9876153011161273 Energy: 1.0511157828661657 Energy: 1.0464512697958919 Energy: 1.0909907470156466 Energy: 0.9644568083833938 Energy: 1.0470760500708027 Energy: 1.0464512697846855 Energy: 1.090990747006775 Energy: 0.9644568083796584 Energy: 1.0901831551721048 Energy: 1.0362988491530871 Energy: 1.0160378333090603 Energy: 1.036485074084743 Energy: 1.0901831551712133 Energy: 1.0362988491596241 Energy: 1.0498786787647725 Energy: 1.0464688949367995 Energy: 1.02250919335782 Energy: 1.1261056082125254 Energy: 1.0379980682675018 Energy: 1.0464688949447374 Energy: 1.0225091933629564 Energy: 1.126105608208323 Energy: 1.1333267123286725 Energy: 1.0367983629450235 Energy: 1.0460272330563714 Energy: 1.0360021783732618 Energy: 1.1333267123426376 Energy: 1.0367983629562298 Energy: 1.0521434548418387 Energy: 1.0511818775997586 Energy: 0.9795531605332508 Energy: 1.1667499090583062 Energy: 0.9795442923987437 Energy: 1.051181877603494 Energy: 0.9795531605486594 Energy: 1.1667499090457416 Energy: 1.133329117105924 Energy: 1.0359626854841795 Energy: 1.0697638546089014 Energy: 1.0364388597335057 Energy: 1.1333291171040563 Energy: 1.0359626854790436 Energy: 1.045713057194813 Energy: 1.0465138002021162 Energy: 1.037999780143102 Energy: 1.125657058309116 Energy: 1.0225107884169211 Energy: 1.0465138002119216 Energy: 1.0379997801323626 Energy: 1.125657058309116 Energy: 1.0901704203425895 Energy: 1.036588801619241 Energy: 0.9660346579869954 Energy: 1.036103716432109 Energy: 1.090170420327181 Energy: 1.0365888016243772 Energy: 1.007224837021255 Energy: 1.0464675318342194 Energy: 1.0470329127783689 Energy: 0.9643930748144435 Energy: 1.090938400876446 Energy: 1.046467531830484 Energy: 1.047032912773742 Energy: 0.9643930748102412 Energy: 1.0531873873784 Energy: 1.036536285032393 Energy: 1.0075540137097199 Energy: 0.9877918336451521 Energy: 1.0531873873662596 Energy: 1.036536285048226 Energy: 1.0075540137101866 Energy: 1.0412150141830625 Energy: 1.0331994954658867 Energy: 0.9645162985493072 Energy: 1.0349635026559478 Energy: 1.0412150141713892 Energy: 1.033199495457949 Energy: 0.9645162985460387 Energy: 1.053129700076348 Energy: 1.0634158576521142 Energy: 1.0682232542984145 Energy: 1.0633909502922811 Energy: 1.0531297000735464 Energy: 1.0634158576549158 Energy: 1.1039541709237306 Energy: 1.0411687103342466 Energy: 1.0350043282007935 Energy: 0.9645422215805194 Energy: 1.0334504161766425 Energy: 1.0411687103473204 Energy: 1.0350043282035948 Energy: 0.9645422215791186 Energy: 1.0532341192341383 Energy: 0.9876153011334037 Energy: 1.0511157828685003 Energy: 1.0364220605273522 Energy: 1.0532341192462784 Energy: 0.9876153011161273 Energy: 1.0511157828731696 Energy: 1.0464512697935573 Energy: 1.0909907470119113 Energy: 0.9644568083819929 Energy: 1.0470760500703358 Energy: 1.046451269782351 Energy: 1.0909907470049074 Energy: 0.964456808381526 Energy: 1.0901831551693457 Energy: 1.0362988491507525 Energy: 1.0353980023637634 Energy: 1.036485074085677 Energy: 1.0901831551684118 Energy: 1.0362988491577565 Energy: 1.035398002357693 Energy: 1.0464688949372665 Energy: 1.0225091933573531 Energy: 1.126105608214393 Energy: 1.0379980682684358 Energy: 1.0464688949461378 Energy: 1.0225091933601549 Energy: 1.1261056082115914 Energy: 1.1333267123318984 Energy: 1.0367983629445565 Energy: 1.0245702172054443 Energy: 1.036002178372328 Energy: 1.1333267123426376 Energy: 1.0367983629566966 Energy: 1.0245702172152495 Energy: 1.0511818775988246 Energy: 0.9795531605332508 Energy: 1.166749909059707 Energy: 0.9795442924010783 Energy: 1.0511818776048947 Energy: 0.9795531605486594 Energy: 1.166749909043874 Energy: 1.1333291171054571 Energy: 1.0359626854846464 Energy: 1.0893815110422729 Energy: 1.0364388597330387 Energy: 1.1333291171012547 Energy: 1.0359626854781094 Energy: 1.045713057194346 Energy: 1.0465138002007155 Energy: 1.037999780143102 Energy: 1.1256570583063146 Energy: 1.0225107884155202 Energy: 1.046513800210521 Energy: 1.037999780135631 Energy: 1.1256570583077152 Energy: 1.0901704203430564 Energy: 1.0365888016173734 Energy: 1.024992901141716 Energy: 1.036103716432576 Energy: 1.0901704203295155 Energy: 1.0365888016243772 Energy: 0.9953593394780499 Energy: 1.0464675318342194 Energy: 1.0470329127765015 Energy: 0.9643930748144435 Energy: 1.0909384008768703 Energy: 1.0464675318332854 Energy: 1.0470329127723412 Energy: 0.964393074810708 Energy: 1.0531873873807345 Energy: 1.0365362850351945 Energy: 0.9955271358193023 Energy: 0.9877918336442183 Energy: 1.0531873873653261 Energy: 1.0365362850524285 Energy: 1.0348312335026202 Energy: 1.041215014185397 Energy: 1.033199495464953 Energy: 0.9645162985483734 Energy: 1.0349635026559478 Energy: 1.0412150141732568 Energy: 1.0331994954630854 Energy: 0.9645162985423034 Energy: 1.0531297000744804 Energy: 1.0634158576502468 Energy: 1.0771615540167285 Energy: 1.063390950292748 Energy: 1.053129700076348 Energy: 1.0634158576544488 Energy: 1.072857986771852 Energy: 1.0411687103328457 Energy: 1.035004328196124 Energy: 0.9645422215781848 Energy: 1.0334504161729072 Energy: 1.0411687103468534 Energy: 1.0350043281979917 Energy: 0.9645422215767842 minimum gb energy = 0.9643930748102412 eV minimum distance = 2.30923712312928 Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: 1.0753603003099108 Energy: 1.1028576706283437 Energy: 1.057274361167586 Energy: 1.1028449916588567 Energy: 1.0753603003070766 Energy: 1.1028576706277768 Energy: 1.0572743611641853 Energy: 1.107633850331771 Energy: 1.0366550238948824 Energy: 1.0221691532879313 Energy: 1.036658849808499 Energy: 1.1076338503334717 Energy: 1.0366550238937489 Energy: 1.022169153289632 Energy: 1.0756448578931803 Energy: 1.0300617038671454 Energy: 1.0347592480841639 Energy: 1.0418345288596302 Energy: 1.075644857894314 Energy: 1.0300617038631776 Energy: 1.0347592480881316 Energy: 1.0996192677795877 Energy: 1.033339598371228 Energy: 1.044507588506162 Energy: 1.0367979677819115 Energy: 1.0996192677756198 Energy: 1.0333395983689604 Energy: 1.0445075885078623 Energy: 1.0355164253955322 Energy: 1.0613659321502515 Energy: 1.00418694517906 Energy: 1.0004151702562538 Energy: 1.0355164253915647 Energy: 1.0613659321485511 Energy: 1.019977412861098 Energy: 1.0995262879335443 Energy: 1.0070759612800293 Energy: 1.072682748863992 Energy: 1.0395121619164716 Energy: 1.0995262879295764 Energy: 1.007075961280596 Energy: 1.0726827488668265 Energy: 1.0780941031358742 Energy: 1.0612865198637689 Energy: 1.0197418398109586 Energy: 1.058063885744328 Energy: 1.0780941031336069 Energy: 1.0612865198643355 Energy: 1.019741839813226 Energy: 1.091830504639757 Energy: 1.0413054268079147 Energy: 1.073168373386547 Energy: 1.0398009592739477 Energy: 1.0918305046465588 Energy: 1.041305426803947 Energy: 1.0731683733871136 Energy: 1.0779505422919906 Energy: 1.0434867463733506 Energy: 1.0404686451680067 Energy: 1.0043257789319588 Energy: 1.0779505422930986 Energy: 1.0434867463699498 Energy: 1.0404686451685738 Energy: 1.078589267242078 Energy: 1.0581950507123088 Energy: 1.0288160902032877 Energy: 1.0404797983341025 Energy: 1.0785892672443453 Energy: 1.0581950507185438 Energy: 1.0288160902010204 Energy: 1.078887236918907 Energy: 1.0458136781039364 Energy: 1.0506224036655876 Energy: 1.044976554171758 Energy: 1.0788872369240083 Energy: 1.045813678102803 Energy: 1.0391131866495307 Energy: 0.9986960780497983 Energy: 1.0049887433860665 Energy: 1.0346781384000518 Energy: 1.0087887212712454 Energy: 0.998696078050932 Energy: 1.0049887433860665 Energy: 1.0346781384011854 Energy: 1.0789375755245079 Energy: 1.0368041069780647 Energy: 1.0424990670228704 Energy: 1.0440336371895562 Energy: 1.0789375755273418 Energy: 1.0368041069786318 Energy: 1.0424990670223035 Energy: 0.99834664514993 Energy: 1.0055424820404684 Energy: 1.0741590783641721 Energy: 1.0049944767717833 Energy: 0.9983466451521972 Energy: 1.0055424820387677 Energy: 1.0741590783641721 Energy: 1.1035229585275512 Energy: 1.0063142476380338 Energy: 1.0225668636647653 Energy: 1.0443340586037246 Energy: 1.103522958525284 Energy: 1.0063142476420017 Energy: 1.0225668636641987 Energy: 0.9981007772769283 Energy: 1.0978388290637529 Energy: 1.0745518865605481 Energy: 1.0577398815159667 Energy: 0.9981007772740941 Energy: 1.0978388290660201 Energy: 1.0745518865628154 Energy: 1.0941343036235074 Energy: 1.0061451671551604 Energy: 1.1645295479081663 Energy: 1.0443511979248323 Energy: 1.0941343036235074 Energy: 1.0061451671574277 Energy: 1.1645295479110005 Energy: 0.9979830993787964 Energy: 1.0564447376243318 Energy: 1.053444059539354 Energy: 1.092008179778218 Energy: 0.9979830993810636 Energy: 1.0564447376243318 Energy: 1.053444059538787 Energy: 1.0753062956085342 Energy: 1.0059541069680518 Energy: 1.0866300175993149 Energy: 1.0447563402554072 Energy: 1.0753062956074007 Energy: 1.0059541069663516 Energy: 1.0866300175993149 Energy: 0.9991636632815019 Energy: 1.0703980085284557 Energy: 1.0487032387904276 Energy: 1.0703480383849082 Energy: 0.999163663280935 Energy: 1.0703980085290223 Energy: 1.0487032387938284 Energy: 1.0753096065273153 Energy: 1.0446532014750467 Energy: 1.0866766354771464 Energy: 1.005961646636616 Energy: 1.075309606529016 Energy: 1.0446532014705123 Energy: 1.0866766354748791 Energy: 0.9979895244447233 Energy: 1.0919906405223765 Energy: 1.0534776904012835 Energy: 1.0393492878583406 Energy: 0.9979895244464239 Energy: 1.0919906405201347 Energy: 1.0534776904035508 Energy: 1.0941291997930442 Energy: 1.0443720608638056 Energy: 1.0544349649246287 Energy: 1.0061904833930713 Energy: 1.094129199793611 Energy: 1.044372060866073 Energy: 1.0544349649251958 Energy: 0.9981242064275527 Energy: 1.057753420788672 Energy: 1.0745429136978124 Energy: 1.0978002221012295 Energy: 0.9981242064315204 Energy: 1.0577534207881052 Energy: 1.0745429136972455 Energy: 1.1035304082041162 Energy: 1.0443427673817531 Energy: 1.0587771735320175 Energy: 1.0063086037615854 Energy: 1.1035304082058166 Energy: 1.0443427673840204 Energy: 1.0587771735320175 minimum gb energy = 0.9979830993787964 eV minimum distance = 2.26812459146743 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 1.0393643217309563 Energy: 1.0812769564953209 Energy: 1.0140584065612086 Energy: 1.082869681654565 Energy: 1.0393643217280806 Energy: 1.08127695650924 Energy: 1.0140584065498202 Energy: 1.0732424864017047 Energy: 1.0438617640723782 Energy: 0.9830075338540658 Energy: 1.0728133499312618 Energy: 1.0732424864070538 Energy: 1.0438617640593792 Energy: 0.9830075338385936 Energy: 1.0396671035806824 Energy: 1.0699853080971835 Energy: 1.0916545856489774 Energy: 1.0340954857158764 Energy: 1.0396671035167806 Energy: 1.0699853080990815 Energy: 1.0916545856521407 Energy: 1.0093070820001906 Energy: 1.044746043108764 Energy: 1.0204144282500234 Energy: 1.0441302349092576 Energy: 1.0093070820150876 Energy: 1.0447460431141706 Energy: 1.020414428249103 Energy: 1.0658934432333802 Energy: 0.9873669084187372 Energy: 1.0326517623349645 Energy: 1.0213885880756144 Energy: 1.065893443233035 Energy: 0.987366908413043 Energy: 1.032651762338128 Energy: 0.9873310571614381 Energy: 1.027442195797005 Energy: 1.0628982544672165 Energy: 1.0035893125943653 Energy: 0.9873310571532131 Energy: 1.0274421958042521 Energy: 1.062898254465951 Energy: 1.0432217761820544 Energy: 0.987263168712499 Energy: 1.039546334118643 Energy: 0.9984335621916358 Energy: 1.043221776168135 Energy: 0.9872631687074949 Energy: 1.0395463341360132 Energy: 0.987256774092558 Energy: 1.00222026151178 Energy: 1.0271751878683277 Energy: 1.0050428143284766 Energy: 0.9872567740881291 Energy: 1.0022202615190274 Energy: 1.0271751878522228 Energy: 1.0116774711493493 Energy: 0.983576361491685 Energy: 1.03537426369929 Energy: 0.9968486437891836 Energy: 1.0116774711386511 Energy: 0.9835763614913975 Energy: 1.0879503253847003 Energy: 0.9874599479043719 Energy: 1.0043463214490747 Energy: 1.0322779230862322 Energy: 1.0031671890059344 Energy: 0.9874599479180035 Energy: 1.0043463214462562 Energy: 1.0322779230773746 Energy: 1.0093840895533168 Energy: 1.0152005125384171 Energy: 1.038749975677201 Energy: 1.0017808546229956 Energy: 1.009384089537212 Energy: 1.0152005125447443 Energy: 1.0582136490456109 Energy: 1.0055164972703634 Energy: 1.0175929082979236 Energy: 1.1233485046788987 Energy: 0.9949904776538895 Energy: 1.0055164972735269 Energy: 1.0175929083048258 Energy: 1.1233485046728593 Energy: 1.0090606480927795 Energy: 1.0228712904846702 Energy: 1.0429066845611492 Energy: 1.0108059256407442 Energy: 1.0090606481010045 Energy: 1.0228712904830597 Energy: 1.023373725138275 Energy: 1.0293995012520385 Energy: 1.0592938103283782 Energy: 1.011152951919158 Energy: 1.0545575865753742 Energy: 1.0293995012381194 Energy: 1.0592938103141714 Energy: 1.0111529519131186 Energy: 1.0703160122092996 Energy: 1.0379877182126171 Energy: 1.1083622311364285 Energy: 1.0480830635533964 Energy: 1.0703160122156266 Energy: 1.0379877182119845 Energy: 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1.156445300659956 Energy: 1.0501172707894224 Energy: 1.0330941647510263 Energy: 1.0398502858373682 Energy: 1.1564453006602438 Energy: 1.0362102270336047 Energy: 1.0474618146406485 Energy: 1.053342578642024 Energy: 1.0551676901920701 Energy: 1.036210227033317 Energy: 1.0474618146580186 Energy: 1.0533425786328787 Energy: 1.0332804351414928 Energy: 1.0220078776763035 Energy: 1.1565149517355158 Energy: 1.0001212019663654 Energy: 1.0332804351597833 Energy: 1.022007877677569 Energy: 1.1565149517377014 Energy: 1.000823702023272 Energy: 1.0260059933031176 Energy: 1.0251162983191853 Energy: 1.0499319589916605 Energy: 1.0008237020308643 Energy: 1.0260059933132408 Energy: 1.025116298317 minimum gb energy = 0.9830075338385936 eV minimum distance = 2.27434306378217 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 0.9954562886674188 Energy: 0.9194952588454947 Energy: 0.85183263874226 Energy: 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0.9954562886702716 Energy: 0.9194952588412151 Energy: 1.0258623047553024 Energy: 0.9194952588426417 Energy: 0.995456288665279 Energy: 0.9194952588390753 Energy: 1.025862304760295 Energy: 0.9954562886688453 Energy: 0.9194952588462079 Energy: 1.018362436779425 Energy: 0.9194952588405019 Energy: 0.995456288668132 Energy: 0.9194952588405019 Energy: 0.9738479534679312 Energy: 0.9954562886695586 Energy: 0.9194952588376489 Energy: 0.9738479534650781 Energy: 0.9194952588390753 Energy: 0.9954562886702716 Energy: 0.9194952588390753 Energy: 0.9738479534729237 Energy: 0.9954562886695586 Energy: 0.9194952588440681 Energy: 0.9738479534757768 Energy: 0.9194952588412151 Energy: 0.9954562886667055 Energy: 0.9194952588419284 Energy: 0.9738479534665047 Energy: 0.9954562886695586 Energy: 0.9194952588433548 Energy: 0.9738479534693576 Energy: 0.9194952588419284 Energy: 0.9954562886702716 Energy: 0.9194952588405019 Energy: 0.9738479534686444 Energy: 0.9954562886695586 Energy: 0.9194952588390753 Energy: 0.9738479534636516 Energy: 0.9194952588412151 Energy: 0.9954562886695586 Energy: 0.9194952588419284 Energy: 0.9738479534736371 Energy: 0.9954562886695586 Energy: 0.9194952588433548 Energy: 0.9738479534771709 Energy: 0.9194952588419284 Energy: 0.9954562886667055 Energy: 0.9194952588390753 Energy: 0.9738479534672179 Energy: 0.9954562886688453 Energy: 0.9194952588462079 Energy: 0.9738479534693576 Energy: 0.9194952588440681 Energy: 0.9954562886667055 Energy: 0.9194952588433548 Energy: 0.9738479534657913 Energy: 0.9954562886695586 Energy: 0.9194952588376489 Energy: 0.9738479534657913 Energy: 0.9194952588405019 Energy: 0.9954562886688453 Energy: 0.9194952588426417 Energy: 0.9738479534722105 minimum gb energy = 0.8463885605555275 eV minimum distance = 2.37582617431743 Angstroms sigma value = 23