Model name: model_name=EAM_Dynamo_BorovikovMendelevKing_2016_CuZr__MO_097471813275_000 a1: a1=[1, 0, 0] a2: a2=[0, 1, 0] a3: a3=[0, 0, 1] Species: species=Cu Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.638568460941315 cohesive_energy=3.4069304484773077 mass=63.546 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=90.0 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: 0.01301001831818793 Energy: 0.013390106284576694 Energy: 0.2527637606172662 Energy: 0.013390106284576694 Energy: 0.013390106284576694 Energy: 0.9825336947433359 Energy: 0.013390106284576694 Energy: 0.9825336947433359 Energy: 0.2527637606172662 Energy: 0.013390106285161414 Energy: 0.01301001831880705 Energy: 0.013390106284576694 Energy: 0.013390106284576694 Energy: 0.9825336947433359 Energy: 0.013390106284576694 Energy: 0.9825336947433359 minimum gb energy = 0.01301001831818793 eV minimum distance = 2.50348103479963 Angstroms sigma value = 1 ======================================== theta = 14.250032697803595 ======================================== Energy: 0.9820667250597617 Energy: 1.0095265367040425 Energy: 0.8964805047422336 Energy: 1.0095265367032915 Energy: 0.9260559867921072 Energy: 0.981940145278166 Energy: 0.917494710683732 Energy: 0.9819401452744116 Energy: 0.8499737519568455 Energy: 0.9978812360764552 Energy: 0.913479981535346 Energy: 0.9978812360764552 Energy: 0.9046990535840158 Energy: 1.0140394788147604 Energy: 0.8959691240756877 Energy: 1.014039478811006 Energy: 0.9047792332921057 Energy: 1.0096277489218437 Energy: 0.9094856716129177 Energy: 1.0096277489218437 Energy: 0.8690612261084906 Energy: 0.9747265599535524 Energy: 0.860535211742306 Energy: 0.9747265599535524 Energy: 0.9267816662207243 Energy: 0.9971007976985858 Energy: 0.8709773187460985 Energy: 0.997100797697835 Energy: 0.8084909482176461 Energy: 1.0113419233488108 Energy: 0.8556583531813909 Energy: 1.0113419233488108 Energy: 0.8969748036827947 Energy: 1.1581553181626494 Energy: 0.921426046497779 Energy: 1.1581553181626494 Energy: 0.8564043099495932 Energy: 0.9970872670205649 Energy: 0.8001656840597233 Energy: 0.9970872670213157 Energy: 0.919980900992252 Energy: 0.9821855671871709 Energy: 0.8951847493613376 Energy: 0.9821855671886726 Energy: 0.8787048061890684 Energy: 1.0114230073993606 Energy: 0.8669398853253774 Energy: 1.0114230073986097 Energy: 0.9167055968105811 Energy: 0.9966547212128405 Energy: 0.9268886636676261 Energy: 0.9966547212143422 Energy: 0.9170147707371052 Energy: 0.999827089764884 Energy: 0.8871503481011138 Energy: 0.9998270897663856 Energy: 0.9128194773085684 Energy: 1.0090966384593674 Energy: 0.9207700298021039 Energy: 1.0090966384586164 Energy: 0.9183986901239678 Energy: 1.0094871805908603 Energy: 0.9144389908409188 Energy: 1.0094871805908603 Energy: 0.9135835077226165 Energy: 0.9980270448759986 Energy: 0.8480727822756458 Energy: 0.9980270448752477 Energy: 0.9190261301134358 Energy: 0.9709260927103329 Energy: 0.9255317851391998 Energy: 0.9709260927118346 Energy: 0.8238482750374749 Energy: 1.0102601490470342 Energy: 0.8665696944133204 Energy: 1.010260149047785 Energy: 0.9269953694608368 Energy: 0.9176307591179851 Energy: 0.8953138106112086 Energy: 0.9176307591179851 Energy: 0.8578258857451202 Energy: 0.9977918148742869 Energy: 0.8140388815548828 Energy: 0.9977918148727853 Energy: 0.896078295024325 Energy: 0.9216667828498196 Energy: 0.9132765399132179 Energy: 0.9216667828505704 Energy: 0.9128392408158646 Energy: 1.009479076900434 Energy: 0.8563099098418158 Energy: 1.0094790769011848 Energy: 0.8906755306988381 Energy: 0.9980787412804879 Energy: 0.8689944278483062 Energy: 0.9980787412804879 Energy: 0.8711696331218598 Energy: 0.9744734261379139 Energy: 0.9270729569741695 Energy: 0.9744734261386647 Energy: 0.9074464859158157 Energy: 1.0109104394541648 Energy: 0.8568253056157662 Energy: 1.0109104394549155 Energy: 0.9150139533965795 Energy: 0.999895743930542 Energy: 0.8965379976867794 Energy: 0.9998957439290401 Energy: 0.8519569778389393 Energy: 0.9969771479680369 Energy: 0.9135307864823635 Energy: 0.9969771479710404 Energy: 0.9256563838900245 Energy: 1.0013335462092323 Energy: 0.9144710905348338 Energy: 1.0013335462107342 Energy: 0.9277699195389832 Energy: 1.0096496823118541 Energy: 0.8773608534598157 Energy: 1.009649682312605 Energy: 0.922752384588051 Energy: 1.0008868507235384 Energy: 0.916630831420525 Energy: 1.0008868507220368 Energy: 0.8915768930983362 Energy: 0.9982346831284074 Energy: 0.917088227964012 Energy: 0.9982346831269056 Energy: 0.9045856573681501 Energy: 1.0135122746753624 Energy: 0.8965426246214826 Energy: 1.0135122746768641 minimum gb energy = 0.8001656840597233 eV minimum distance = 2.18831484418109 Angstroms sigma value = 1 ======================================== theta = 16.26020470831196 ======================================== Energy: 1.0562095661577577 Energy: 1.070759531189336 Energy: 0.9234901458547807 Energy: 1.070759531190192 Energy: 0.9514494061112975 Energy: 1.0429528918899218 Energy: 0.9684677655582803 Energy: 1.0429528918830728 Energy: 0.9010383905215216 Energy: 1.0715762128183703 Energy: 0.962487732035457 Energy: 1.071576212824363 Energy: 0.9122837085816757 Energy: 1.0035823144362517 Energy: 0.911793776021303 Energy: 1.0035823144328273 Energy: 0.9123236598370996 Energy: 1.0608030578689949 Energy: 0.9620681298632618 Energy: 1.0608030578655705 Energy: 0.9452196240346812 Energy: 1.0609299249660844 Energy: 0.9070903735472469 Energy: 1.0609299249618038 Energy: 0.9522928356578201 Energy: 0.9462736542516977 Energy: 0.9462105338042213 Energy: 0.9462736542482733 Energy: 0.8405975552132865 Energy: 1.0714247237623657 Energy: 0.8956754404993427 Energy: 1.0714247237597974 Energy: 0.9211111637360054 Energy: 0.9804530798584389 Energy: 0.9684308510142431 Energy: 0.9804530798644316 Energy: 0.9124018327465789 Energy: 1.071574032125761 Energy: 0.8976789234660729 Energy: 1.0715740321249048 Energy: 0.9524943990084308 Energy: 1.0191899768324022 Energy: 0.9575635351456114 Energy: 1.019189976829834 Energy: 0.8804413864861149 Energy: 1.0674134903852839 Energy: 0.9661269670634959 Energy: 1.067413490387852 Energy: 0.9814320771673769 Energy: 1.054522272257834 Energy: 0.9398958369050309 Energy: 1.0545222722569778 Energy: 0.9815174346336722 Energy: 1.0545235743054187 Energy: 0.9619738698143604 Energy: 1.0545235743037062 Energy: 0.8804129232177429 Energy: 1.0673323389769722 Energy: 0.9501621208906524 Energy: 1.0673323389726916 Energy: 0.952221198433034 Energy: 1.0191740749912384 Energy: 0.9462685170952447 Energy: 1.019174074997231 Energy: 0.9124087895114082 Energy: 1.0715602783817093 Energy: 0.8948302819669531 Energy: 1.071560278379997 Energy: 0.9211579004114558 Energy: 0.9803982614093455 Energy: 0.9684297731850987 Energy: 0.9803982614119138 Energy: 0.8405756546441042 Energy: 1.0714863609124519 Energy: 0.9072510599452993 Energy: 1.071486360903891 Energy: 0.9522471752429703 Energy: 0.9462340027754214 Energy: 0.9134278109870987 Energy: 0.9462340027745653 Energy: 0.9451911603649897 Energy: 1.0609747725079277 Energy: 0.9405746327166667 Energy: 1.060974772508784 Energy: 0.9124016757591968 Energy: 1.060766882099682 Energy: 0.9411004304055023 Energy: 1.0607668820945453 Energy: 0.9122889048201375 Energy: 0.9489929003202566 Energy: 0.9460108739942146 Energy: 0.948992900323681 Energy: 0.9011505682749517 Energy: 1.0714616814461813 Energy: 0.9502475297244983 Energy: 1.071461681444469 Energy: 0.9514852851915031 Energy: 1.042937965697247 Energy: 0.9684468716705331 Energy: 1.042937965698103 Energy: 1.0562095661594701 Energy: 1.07075953118848 Energy: 0.9480173649122721 Energy: 1.070759531189336 Energy: 0.9514494061130097 Energy: 1.0429528918873536 Energy: 0.9684677655582803 Energy: 1.0429528918822168 Energy: 0.9010383905198094 Energy: 1.0715762128183703 Energy: 0.9661562047912738 Energy: 1.071576212823507 Energy: 0.9122837085816757 Energy: 1.0035823144362517 Energy: 0.9133157954632276 Energy: 1.0035823144353957 minimum gb energy = 0.8405756546441042 eV minimum distance = 2.16096374923797 Angstroms sigma value = 25 ======================================== theta = 18.924644416051233 ======================================== Energy: 1.0044386730558608 Energy: 1.1356515286249402 Energy: 0.9985513599550058 Energy: 1.1356515286239453 Energy: 0.9507940256887164 Energy: 1.0801765981191653 Energy: 0.9797673822475218 Energy: 1.0801765981201605 Energy: 0.9594282828785933 Energy: 1.1658767035069229 Energy: 0.9813757304189542 Energy: 1.1658767035069229 Energy: 0.9721907922740096 Energy: 1.089881933495197 Energy: 0.9508669714161012 Energy: 1.089881933495197 Energy: 0.949171886645114 Energy: 1.136599559846081 Energy: 0.9375353925809641 Energy: 1.1365995598440906 Energy: 1.0148441987682875 Energy: 1.161186980720265 Energy: 0.9492348316663368 Energy: 1.161186980720265 Energy: 0.9804325149389298 Energy: 0.9873148933244768 Energy: 0.9744017309368364 Energy: 0.9873148933224863 Energy: 1.0263250906982377 Energy: 1.1365143572984047 Energy: 0.9052361062085726 Energy: 1.1365143572993996 Energy: 0.9743641005348167 Energy: 1.0697515362735546 Energy: 0.9805239497733064 Energy: 1.0697515362715644 Energy: 0.9811040183481798 Energy: 1.1644773881537387 Energy: 0.9364180193715798 Energy: 1.1644773881527435 Energy: 0.9375681772259202 Energy: 1.1359891096149939 Energy: 0.9803780986113473 Energy: 1.135989109616984 Energy: 0.9495066197409247 Energy: 1.1355250616014303 Energy: 0.9794939013360651 Energy: 1.135525061600435 Energy: 0.9812289037552475 Energy: 1.0871203270333596 Energy: 0.9371552218175734 Energy: 1.08712032703535 Energy: 0.9751588972836907 Energy: 1.0343914288356357 Energy: 1.0237345471144423 Energy: 1.0343914288376261 Energy: 0.9488693316939906 Energy: 1.1375744012946956 Energy: 0.9033199994110869 Energy: 1.1375744012946956 Energy: 0.9796046328682582 Energy: 0.9872121204174573 Energy: 0.9503245637307176 Energy: 0.9872121204154669 Energy: 0.8859939539960502 Energy: 1.1662090759570356 Energy: 0.8860650539140205 Energy: 1.1662090759570356 Energy: 0.9512944459328221 Energy: 1.080924276559388 Energy: 0.939321774252562 Energy: 1.0809242765603833 Energy: 0.9725716544325919 Energy: 1.0878622417691501 Energy: 0.9491790834454441 Energy: 1.0878622417691501 Energy: 0.9489607026632177 Energy: 1.161697337346232 Energy: 0.9795687314418227 Energy: 1.1616973373472272 Energy: 0.9934676132081008 Energy: 1.0666476999210828 Energy: 0.9795466914738858 Energy: 1.0666476999200876 Energy: 1.0031608117376085 Energy: 1.137089847788873 Energy: 0.9998886479812146 Energy: 1.1370898477878777 Energy: 0.9798778054580765 Energy: 1.080536424046497 Energy: 0.979756688409831 Energy: 1.0805364240484874 Energy: 0.9588775391661292 Energy: 1.165259520054678 Energy: 0.9811209922102324 Energy: 1.165259520054678 Energy: 0.9805169813554924 Energy: 0.9934588198171462 Energy: 0.9500514875860718 Energy: 0.9934588198181414 minimum gb energy = 0.8859939539960502 eV minimum distance = 2.2059955966657 Angstroms sigma value = 9 ======================================== theta = 22.619864948040426 ======================================== Energy: 1.073918078779051 Energy: 1.0709144048247539 Energy: 1.0708417006925628 Energy: 1.0709144048247539 Energy: 1.030990220127746 Energy: 1.1514374744964233 Energy: 1.0692156179227619 Energy: 1.1514374744952358 Energy: 0.9451589078085985 Energy: 1.0638590678862332 Energy: 1.0341314192593247 Energy: 1.0638590678838589 Energy: 1.0633259761815799 Energy: 1.1619632389340078 Energy: 0.9681899523804182 Energy: 1.1619632389340078 Energy: 1.0990122157626139 Energy: 1.1432199390811009 Energy: 1.0331510690331016 Energy: 1.1432199390799138 Energy: 0.9340374165750565 Energy: 1.063705749105739 Energy: 0.9682962444530113 Energy: 1.0637057491033644 Energy: 1.075642177820079 Energy: 0.9685638353263996 Energy: 0.9703263869260483 Energy: 0.9685638353252124 Energy: 1.0123748955331593 Energy: 1.0638358502261827 Energy: 0.9607578742839853 Energy: 1.0638358502261827 Energy: 1.077894461658019 Energy: 1.1427306453328565 Energy: 1.0539823356182407 Energy: 1.1427306453328565 Energy: 1.0656026252641744 Energy: 1.0643871202330606 Energy: 0.9683659408312667 Energy: 1.0643871202306863 Energy: 1.0030945675689091 Energy: 1.143766668254337 Energy: 1.034237147859587 Energy: 1.1437666682531498 Energy: 1.0634009817437136 Energy: 1.1098965005382577 Energy: 0.9681514622598408 Energy: 1.1098965005406052 Energy: 0.9344325605348487 Energy: 1.0688187143875625 Energy: 1.0075242867882745 Energy: 1.0688187143863752 Energy: 1.017406569621045 Energy: 1.0635710534175915 Energy: 1.0651719086608045 Energy: 1.0635710534175915 Energy: 0.9344477521919726 Energy: 1.0687858585441734 Energy: 1.0124383516016362 Energy: 1.0687858585441734 Energy: 1.0634039401838287 Energy: 1.1099226568434222 Energy: 0.9682878418786218 Energy: 1.1099226568422351 Energy: 1.0031833257194311 Energy: 1.1437432885400927 Energy: 1.0536677624341702 Energy: 1.1437432885400927 Energy: 1.0655704997236857 Energy: 1.0643650689724138 Energy: 0.9683704110195178 Energy: 1.0643650689736008 Energy: 1.0778673446145615 Energy: 1.1427181308359478 Energy: 1.0539504760874199 Energy: 1.1427181308395096 Energy: 1.0123304838817653 Energy: 1.0637897619837642 Energy: 0.9607945788751949 Energy: 1.0637897619837642 Energy: 1.0756279949819652 Energy: 0.9686061140953649 Energy: 0.9703217527695295 Energy: 0.9686061140965522 minimum gb energy = 0.9340374165750565 eV minimum distance = 2.34970217649352 Angstroms sigma value = 25 ======================================== theta = 28.072486935852957 ======================================== Energy: 1.0140162944221942 Energy: 1.2952360744739204 Energy: 1.1231215524562914 Energy: 1.2952360744739204 Energy: 0.9992618547336644 Energy: 1.1642820668481642 Energy: 0.9861871305666973 Energy: 1.1642820668466958 Energy: 0.9869600715485524 Energy: 1.089764041549057 Energy: 0.9857533250774382 Energy: 1.0897640415226293 Energy: 1.0112878796450953 Energy: 1.0658889294907692 Energy: 1.0949973302290084 Energy: 1.0658889294893008 Energy: 1.0847234099812841 Energy: 0.9986303945587774 Energy: 1.0666182656905205 Energy: 0.9986303945587774 Energy: 0.9857340166481677 Energy: 1.1620614616168399 Energy: 0.987251559895056 Energy: 1.1620614616168399 Energy: 1.0434740461331855 Energy: 1.0657411243486945 Energy: 0.9861896036056813 Energy: 1.0657411243486945 Energy: 1.0841585218188932 Energy: 0.9866432961037321 Energy: 1.0108476212713093 Energy: 0.9866432961007957 Energy: 0.985724046306535 Energy: 1.0236932008433208 Energy: 0.9992207038091628 Energy: 1.023693200147689 Energy: 1.132948912884473 Energy: 1.0895710243253522 Energy: 0.9862794518897945 Energy: 1.0895710243253522 Energy: 1.0324503374870515 Energy: 1.0659379185028774 Energy: 1.1868295807708336 Energy: 1.0659379185043458 Energy: 0.9862320525617116 Energy: 1.0245210325145564 Energy: 1.1310836664762838 Energy: 1.0245210325160246 Energy: 1.0809861264180287 Energy: 1.0590715023258304 Energy: 0.9864579568788964 Energy: 1.0591012116772707 Energy: 0.9860737842318875 Energy: 1.0658237940620807 Energy: 1.011271290515713 Energy: 1.0658237940635489 Energy: 0.9856490499765284 Energy: 1.0653424984820423 Energy: 1.0847676148856087 Energy: 1.0653424984805742 Energy: 0.9974541958280178 Energy: 1.1031589587937862 Energy: 0.9857719462588184 Energy: 1.1031589587937862 Energy: 0.9860527149380165 Energy: 1.0838461945612166 Energy: 1.132259073614199 Energy: 1.0838461945612166 minimum gb energy = 0.9856490499765284 eV minimum distance = 2.33336575889968 Angstroms sigma value = 17 ======================================== theta = 31.890791801845708 ======================================== Energy: 1.1511196656704852 Energy: 1.1403888648447176 Energy: 1.225858127929988 Energy: 1.1403888648430547 Energy: 1.1172668913365484 Energy: 1.1044149622025876 Energy: 1.0323883952330484 Energy: 1.104414962201756 Energy: 1.1076634124843507 Energy: 1.1344757988429386 Energy: 1.0315928973533883 Energy: 1.134475798842107 Energy: 1.0339938204408718 Energy: 1.1412471324658073 Energy: 1.0897780235270376 Energy: 1.1412471324666387 Energy: 1.1411442186464198 Energy: 1.084274002584275 Energy: 1.0327420718745575 Energy: 1.0842740025826119 Energy: 1.0455628304820317 Energy: 1.071192100487013 Energy: 1.0965805792345507 Energy: 1.071192100487013 Energy: 1.0363389541830494 Energy: 1.1464881188251872 Energy: 1.032261379595601 Energy: 1.1464881188243556 Energy: 1.097499702548254 Energy: 1.1355227640084047 Energy: 1.0411052453475194 Energy: 1.1355227640084047 Energy: 1.0420135124889771 Energy: 1.1921283462587273 Energy: 1.1507898714028029 Energy: 1.1921283462603904 Energy: 1.2006365604116032 Energy: 1.1077742795995873 Energy: 1.031908816185472 Energy: 1.1077742795987557 Energy: 1.0366811922566372 Energy: 1.135044466365727 Energy: 1.11052360254332 Energy: 1.1350444663665586 Energy: 1.0416260931989392 Energy: 1.1502330626294786 Energy: 1.041932984845493 Energy: 1.1502330626311414 Energy: 1.1445556780795598 Energy: 1.1348836111088192 Energy: 1.13797717609452 Energy: 1.1348836111088192 Energy: 1.0317032824082675 Energy: 1.1432179569740275 Energy: 1.120120459440949 Energy: 1.143217956974859 Energy: 1.1051829716871762 Energy: 1.14720970604727 Energy: 1.0421824689684973 Energy: 1.1472097060481012 Energy: 1.1062827600374605 Energy: 1.1356191605577561 Energy: 1.0975532232305456 Energy: 1.1356191605569246 Energy: 1.0322490363399253 Energy: 1.1902222407377172 Energy: 1.2167677950487723 Energy: 1.1902222407385488 Energy: 1.1122084709581528 Energy: 1.1302189955112256 Energy: 1.0456605254699882 Energy: 1.1302189955112256 Energy: 1.056407026734236 Energy: 1.1985692533875731 Energy: 1.0874423050713713 Energy: 1.1985692533892363 Energy: 1.0320720999847948 Energy: 1.1940571467021073 Energy: 1.0342285005152905 Energy: 1.1940571467004442 Energy: 1.0649472024271323 Energy: 1.134660455623472 Energy: 1.1076779809518706 Energy: 1.134660455623472 Energy: 1.03248703131839 Energy: 1.2049213019335852 Energy: 1.200096293481707 Energy: 1.2049213019327536 Energy: 1.1341449578824416 Energy: 1.1403903852516877 Energy: 1.032496571375063 Energy: 1.1403903852500246 Energy: 1.0416389513446243 Energy: 1.1473586313746156 Energy: 1.1090967005675998 Energy: 1.1473586313746156 Energy: 1.0425561820150733 Energy: 1.1319025105153195 Energy: 1.1445536454239942 Energy: 1.1319025105153195 Energy: 1.1373145642348248 Energy: 1.1355970843425343 Energy: 1.033650255947004 Energy: 1.1355970843400396 Energy: 1.0334249289150914 Energy: 1.1754765128645757 Energy: 1.229437408863648 Energy: 1.1754765127506945 Energy: 1.0966467906528774 Energy: 1.0715073345674977 Energy: 1.1084941625330378 Energy: 1.0715073345650032 Energy: 1.2131470168181955 Energy: 1.1959698101583 Energy: 1.035901295405588 Energy: 1.1959698101566372 Energy: 1.0412015052075212 Energy: 1.1923475515029915 Energy: 1.1429433245586889 Energy: 1.1923475515046547 minimum gb energy = 1.0315928973533883 eV minimum distance = 2.18918196578646 Angstroms sigma value = 53 ======================================== theta = 36.86989764584402 ======================================== Energy: 1.0164035950611463 Energy: 1.0145145465485856 Energy: 1.2251790627405297 Energy: 1.0145145465504999 Energy: 1.1576748182323748 Energy: 1.1017682829631805 Energy: 1.1183712758000768 Energy: 1.1017682829593518 Energy: 1.016280199529451 Energy: 1.0142722030118074 Energy: 1.0515798678460742 Energy: 1.014272203007979 Energy: 1.0162704390337893 Energy: 1.0142910662824631 Energy: 1.1181573349690845 Energy: 1.014291066286292 Energy: 1.1576330016702019 Energy: 1.1017078572516867 Energy: 1.1433865159162615 Energy: 1.1017078572497725 Energy: 1.0164035950630608 Energy: 1.0145145465485856 Energy: 1.207486810803822 Energy: 1.0145145465504999 Energy: 1.1576748182323748 Energy: 1.101768282961266 Energy: 1.1340472829671648 Energy: 1.1017682829574376 Energy: 1.0162801995275368 Energy: 1.0142722030098932 Energy: 1.0799552698714485 Energy: 1.0142722030098932 Energy: 1.0162704390337893 Energy: 1.0142910662824631 Energy: 1.0941972960284638 Energy: 1.014291066286292 Energy: 1.1576330016702019 Energy: 1.1017078572516867 Energy: 1.1433865159143475 Energy: 1.1017078572478582 Energy: 1.0164035950611463 Energy: 1.0145145465466714 Energy: 1.1921977253411622 Energy: 1.0145145465504999 Energy: 1.1576748182362033 Energy: 1.1017682829631805 Energy: 1.1340465884238935 Energy: 1.1017682829593518 Energy: 1.016280199529451 Energy: 1.0142722030118074 Energy: 1.1336020540239122 Energy: 1.014272203007979 minimum gb energy = 1.014272203007979 eV minimum distance = 2.30989506923633 Angstroms sigma value = 9 ======================================== theta = 41.112090439166934 ======================================== Energy: 1.1062836671697778 Energy: 1.2296687578526384 Energy: 1.2893785318297821 Energy: 1.2296687575658172 Energy: 1.188053044310161 Energy: 1.1519383373124163 Energy: 1.097147482044871 Energy: 1.15193833731525 Energy: 1.0754857213688809 Energy: 1.093623063808661 Energy: 1.0867541751842267 Energy: 1.0936230638107867 Energy: 1.1511796120116482 Energy: 1.2506852594177185 Energy: 1.0806677723966496 Energy: 1.2506852594205524 Energy: 1.1767420603642453 Energy: 1.1562190753001622 Energy: 1.0935319407280495 Energy: 1.1562190753015793 Energy: 1.0953558245104638 Energy: 1.0928869786274635 Energy: 1.1441743104411328 Energy: 1.092886978629589 Energy: 1.3058989687127494 Energy: 1.1529827753803377 Energy: 1.0880731450673624 Energy: 1.1529827753824633 Energy: 1.0835591349187195 Energy: 1.2489843190296852 Energy: 1.1664234131394493 Energy: 1.2489843191373158 Energy: 1.0773292779756136 Energy: 1.2835633257912236 Energy: 1.0990464471591213 Energy: 1.2835633257869723 Energy: 1.076774332202044 Energy: 1.1445362812335178 Energy: 1.0866888002205648 Energy: 1.1445362812321007 Energy: 1.0850778969862451 Energy: 1.234928903673126 Energy: 1.2726919386115512 Energy: 1.2349289038707065 Energy: 1.1805091983535725 Energy: 1.209278048822615 Energy: 1.0796291602687424 Energy: 1.2092780488190724 Energy: 1.0772049342869643 Energy: 1.1454879820229313 Energy: 1.2321524044304208 Energy: 1.145487982022223 Energy: 1.1549653350014326 Energy: 1.1653864911161949 Energy: 1.1116487437021534 Energy: 1.1653864911572889 Energy: 1.0853984365978635 Energy: 1.2145085784849388 Energy: 1.1650861077386143 Energy: 1.2145085782547664 Energy: 1.0795573114557657 Energy: 1.2840168018950753 Energy: 1.1498718656833258 Energy: 1.2840168018964924 Energy: 1.132221344446514 Energy: 1.2120672051297512 Energy: 1.085327099660332 Energy: 1.212067205311776 Energy: 1.0872489482983954 Energy: 1.1530898743662923 Energy: 1.1981708996483977 Energy: 1.153089874368418 Energy: 1.2222703603578644 Energy: 1.1475768165780034 Energy: 1.0974767835049983 Energy: 1.1475768165439946 Energy: 1.0798303155130733 Energy: 1.1563594722650015 Energy: 1.1416600287862044 Energy: 1.1563594722642931 Energy: 1.1497337130746998 Energy: 1.2353702183775233 Energy: 1.1526769035023008 Energy: 1.2353702183753976 Energy: 1.146238605905346 Energy: 1.1893337003046187 Energy: 1.0764136357780005 Energy: 1.1893337003060358 Energy: 1.0998358405961237 Energy: 1.222271350350197 Energy: 1.0775155604844415 Energy: 1.2222713503494884 Energy: 1.303381446734397 Energy: 1.1345252919186661 Energy: 1.083426778045934 Energy: 1.1345252918889084 Energy: 1.1026938946532892 Energy: 1.2245225943467013 Energy: 1.2548151188353869 Energy: 1.2245225943488267 Energy: 1.110522211536259 Energy: 1.0935623818676072 Energy: 1.075807829673652 Energy: 1.0935623818640647 Energy: 1.1354497701545765 Energy: 1.2189036175922543 Energy: 1.150756094637581 Energy: 1.2189036175660712 Energy: 1.1061565303828635 Energy: 1.2501559074211672 Energy: 1.1511540269547942 Energy: 1.25015590742822 Energy: 1.1222525696971097 Energy: 1.0934291810011199 Energy: 1.0751808848351374 Energy: 1.093429180993326 Energy: 1.09664501186472 Energy: 1.2869357936472205 Energy: 1.2546424899988948 Energy: 1.2869357936443864 Energy: 1.250879372252885 Energy: 1.1927802030891395 Energy: 1.0828852091025687 Energy: 1.1927802032265276 Energy: 1.0967476154323705 Energy: 1.1547278960154443 Energy: 1.076218751873602 Energy: 1.154727896016153 Energy: 1.097863282655432 Energy: 1.1907757099543728 Energy: 1.0760052216721072 Energy: 1.1907757099593324 Energy: 1.149592056691468 Energy: 1.237582328873823 Energy: 1.1511408531859733 Energy: 1.2375823293964847 Energy: 1.08192463146312 Energy: 1.2462186660522154 Energy: 1.307679728786222 Energy: 1.2462186660493815 minimum gb energy = 1.0751808848351374 eV minimum distance = 2.21388692816965 Angstroms sigma value = 73 ======================================== theta = 43.60281897270362 ======================================== Energy: 1.101568716337715 Energy: 1.0977599997753669 Energy: 1.2930590027047606 Energy: 1.0977599997753669 Energy: 1.1056628444124672 Energy: 1.1984992213407106 Energy: 1.1029425331261147 Energy: 1.1984992213418093 Energy: 1.0865500000573425 Energy: 1.2983610731314377 Energy: 1.08610245298556 Energy: 1.2983610731325619 Energy: 1.070971072194772 Energy: 1.1995430388252826 Energy: 1.0846482145094691 Energy: 1.1995430388264068 Energy: 1.0700182844365014 Energy: 1.1863726628691562 Energy: 1.091074449468109 Energy: 1.1863726628691562 Energy: 1.085424182950446 Energy: 1.0960180926701675 Energy: 1.2439584796618353 Energy: 1.0960180926712917 Energy: 1.3153328584589696 Energy: 1.3055962623760309 Energy: 1.085293997782539 Energy: 1.3055962623760309 Energy: 1.0710459371316845 Energy: 1.0976727205931085 Energy: 1.271810927430844 Energy: 1.0976727205931085 Energy: 1.25792234761999 Energy: 1.1007331379245966 Energy: 1.0975430616915887 Energy: 1.1007331379245966 Energy: 1.0858027683978588 Energy: 1.169060964107609 Energy: 1.0868117199673675 Energy: 1.169060964107609 Energy: 1.0687217634522932 Energy: 1.0996532514343011 Energy: 1.2570206117072071 Energy: 1.0996532514343011 Energy: 1.1981022766454708 Energy: 1.1906337630237012 Energy: 1.071504948273114 Energy: 1.1906337630237012 Energy: 1.084307289142575 Energy: 1.1811139887984885 Energy: 1.2218033643496775 Energy: 1.1811139887996127 Energy: 1.2956657746887787 Energy: 1.1819008071241748 Energy: 1.0846915732686278 Energy: 1.1819008071241748 Energy: 1.083050135975638 Energy: 1.1279065716279777 Energy: 1.19529743742044 Energy: 1.127906571629102 Energy: 1.2571525993531316 Energy: 1.0982432744153496 Energy: 1.0712146197028685 Energy: 1.0982432744153496 Energy: 1.0860913208694356 Energy: 1.101871152707196 Energy: 1.0864825932580011 Energy: 1.101871152707196 Energy: 1.1023132615120803 Energy: 1.1026084084966596 Energy: 1.0861726047215605 Energy: 1.1026084084955354 Energy: 1.0895710230477096 Energy: 1.097684939316544 Energy: 1.0695461537157875 Energy: 1.097684939316544 Energy: 1.1027082204778906 Energy: 1.1274597982363124 Energy: 1.3157455504816207 Energy: 1.1274597982363124 Energy: 1.3066914257489786 Energy: 1.096515599774361 Energy: 1.087432244363361 Energy: 1.096515599774361 Energy: 1.083893502360162 Energy: 1.1818698969264834 Energy: 1.2216308596101226 Energy: 1.1818698969253594 minimum gb energy = 1.0687217634522932 eV minimum distance = 2.22137128900604 Angstroms sigma value = 7 ======================================== theta = 46.39718102729638 ======================================== Energy: 1.1743650027048833 Energy: 1.1746743964415949 Energy: 1.2996656970575504 Energy: 1.1746744386998824 Energy: 1.2837713382218794 Energy: 1.1699713438913564 Energy: 1.1022367789201755 Energy: 1.1699713438913564 Energy: 1.0857859789224167 Energy: 1.254296723785416 Energy: 1.1058322789411883 Energy: 1.2542967237830314 Energy: 1.0960826888803417 Energy: 1.2313722807952205 Energy: 1.108433897913154 Energy: 1.2313722807936307 Energy: 1.0922153467347349 Energy: 1.170727346485409 Energy: 1.113176171821758 Energy: 1.170727346486999 Energy: 1.0993480841141519 Energy: 1.1248610840942725 Energy: 1.2017785260122231 Energy: 1.1248610840942725 Energy: 1.2039632988444497 Energy: 1.2101425243154527 Energy: 1.1007772506312552 Energy: 1.2101425244457398 Energy: 1.0991282044667918 Energy: 1.1245415156425382 Energy: 1.2890200074530356 Energy: 1.1245415156401535 Energy: 1.202164233661986 Energy: 1.2277247886796983 Energy: 1.1133862746563774 Energy: 1.2277247886852627 Energy: 1.0886684549666734 Energy: 1.19017670607291 Energy: 1.2202401496236268 Energy: 1.190176706073705 Energy: 1.098581276164535 Energy: 1.2543635997471547 Energy: 1.1029289534850768 Energy: 1.2543635968543139 Energy: 1.1158127079987041 Energy: 1.2076677044361503 Energy: 1.099608050075423 Energy: 1.2076677044369453 Energy: 1.1352291518709725 Energy: 1.1708947790671016 Energy: 1.1020136247419112 Energy: 1.1708947790631272 Energy: 1.1222019385174142 Energy: 1.1157272061622245 Energy: 1.0995345349002121 Energy: 1.1157272061614298 Energy: 1.092578105941348 Energy: 1.2667885910293106 Energy: 1.3154759208295734 Energy: 1.2667885910245413 Energy: 1.2373615541649043 Energy: 1.1903056647180341 Energy: 1.110332098423536 Energy: 1.190305664730752 Energy: 1.1040865500962247 Energy: 1.1894671213020152 Energy: 1.162656477483443 Energy: 1.1894671213004253 Energy: 1.1088788374244305 Energy: 1.24193802256402 Energy: 1.0994596892043786 Energy: 1.241938022563225 Energy: 1.1045889680470253 Energy: 1.1266540904544549 Energy: 1.101911439978441 Energy: 1.1266540904528652 Energy: 1.0951352086151056 Energy: 1.1818442155664395 Energy: 1.139846432828111 Energy: 1.1818442155616704 Energy: 1.1001823351331375 Energy: 1.3218059358457763 Energy: 1.1133312365121597 Energy: 1.3218059358425969 Energy: 1.0883357468214683 Energy: 1.12317974002619 Energy: 1.1847528082263719 Energy: 1.1231797400238055 Energy: 1.2716799365425577 Energy: 1.1916120411100535 Energy: 1.1015636668794389 Energy: 1.1916120411060789 Energy: 1.17505115559214 Energy: 1.1705132536403022 Energy: 1.2436652934935157 Energy: 1.1705132536387126 Energy: 1.155351506871836 Energy: 1.1707695242505753 Energy: 1.0997951360747267 Energy: 1.1707695242489855 Energy: 1.095007656730575 Energy: 1.2608822972660882 Energy: 1.1055560409304293 Energy: 1.2608822972724472 Energy: 1.0857272550191794 Energy: 1.2226392436998512 Energy: 1.108214871711255 Energy: 1.2226392437006461 Energy: 1.1328465907321785 Energy: 1.177371039386248 Energy: 1.1215630352024697 Energy: 1.1773710393838637 Energy: 1.096103766101181 Energy: 1.1234515295029694 Energy: 1.126375381002641 Energy: 1.1234515295005851 Energy: 1.3014725726393788 Energy: 1.115085043981528 Energy: 1.1059712082958337 Energy: 1.1150850439807332 Energy: 1.0959782414814616 Energy: 1.123512240909073 Energy: 1.1724848740906415 Energy: 1.1235122409074831 minimum gb energy = 1.0857272550191794 eV minimum distance = 2.20210441989535 Angstroms sigma value = 29 ======================================== theta = 53.13010235415598 ======================================== Energy: 1.0724611826804213 Energy: 1.0588884232428095 Energy: 1.0744014637797907 Energy: 1.0588884232425326 Energy: 1.0420982656945563 Energy: 1.0753951032999527 Energy: 1.074415899187846 Energy: 1.0753951033018598 Energy: 1.0409750361740049 Energy: 1.1523533397230332 Energy: 1.0408356842415547 Energy: 1.1523533397230332 Energy: 1.074403930162872 Energy: 1.0417885815441847 Energy: 1.0744832054732016 Energy: 1.0417885815436618 Energy: 1.0720148071175994 Energy: 1.1276931775503467 Energy: 1.142993773994031 Energy: 1.1276931775503467 Energy: 1.0329856701035485 Energy: 1.1566113073169584 Energy: 1.0328223771988605 Energy: 1.1566113073174813 Energy: 1.0415209761018611 Energy: 1.1287837756109693 Energy: 1.071978184077987 Energy: 1.1287837756106924 Energy: 1.0744461753097674 Energy: 1.0419151887277898 Energy: 1.0743787777454183 Energy: 1.0419151887275129 Energy: 1.0406479405887872 Energy: 1.1523455130448232 Energy: 1.0323936197808483 Energy: 1.1523455130472535 minimum gb energy = 1.0323936197808483 eV minimum distance = 2.28232532214697 Angstroms sigma value = 5 ======================================== theta = 59.48976259388444 ======================================== Energy: 1.0378671466228533 Energy: 1.0366935853910901 Energy: 1.1732766035966118 Energy: 1.0366935853925918 Energy: 1.0056889862286904 Energy: 1.0967668874381657 Energy: 0.9900607639947144 Energy: 1.0967668874381657 Energy: 0.9875713713420275 Energy: 1.0335027577709974 Energy: 1.1611445567802754 Energy: 1.0335027577755027 Energy: 0.9981991677924034 Energy: 1.0869719721099749 Energy: 1.0214026505367213 Energy: 1.0869719721099749 Energy: 1.007405904579002 Energy: 1.0887788649260584 Energy: 1.180484856480268 Energy: 1.0887788649268093 Energy: 1.0237620424720209 Energy: 1.0458964075590216 Energy: 1.0055638704065228 Energy: 1.0458964075620252 Energy: 1.0094486329215848 Energy: 1.0981353832253113 Energy: 1.0065795180394188 Energy: 1.098135383221557 Energy: 1.008456827908773 Energy: 1.050455281881814 Energy: 0.9887798738930557 Energy: 1.0504552818833157 Energy: 1.0262734296802978 Energy: 1.0357468248446668 Energy: 1.0028925332973464 Energy: 1.0357468248484212 Energy: 1.0247192392763824 Energy: 1.084848337815032 Energy: 1.0008137885757584 Energy: 1.08484833781353 Energy: 0.9806461063451154 Energy: 1.0497513755909422 Energy: 0.9917105375352145 Energy: 1.0497513755939458 Energy: 0.9873337298912995 Energy: 1.2077349764033654 Energy: 1.125987928310861 Energy: 1.207734976400362 Energy: 1.0347805684523808 Energy: 1.0442905068786976 Energy: 1.042145762561178 Energy: 1.044290506875694 Energy: 1.0017249734634333 Energy: 1.0441203459933133 Energy: 1.0660655459503319 Energy: 1.044120345988808 Energy: 1.097282497619564 Energy: 0.9982332800865377 Energy: 0.9914692805402158 Energy: 0.998233280131589 Energy: 1.015648872791336 Energy: 1.1919978783249998 Energy: 1.1615679040328928 Energy: 1.1919978783340097 Energy: 1.0269237791010222 Energy: 1.0074391189055765 Energy: 0.9898588636592476 Energy: 1.0074391189018221 Energy: 1.0059792449895923 Energy: 1.0440173645748425 Energy: 1.0838497207032882 Energy: 1.0440173645770952 Energy: 1.0026768615680026 Energy: 1.1013665146396767 Energy: 1.007045456491226 Energy: 1.1013665146374243 Energy: 0.9872083363299884 Energy: 1.0765763446096923 Energy: 1.047658819685356 Energy: 1.076576344610443 Energy: 0.9854830212350776 Energy: 1.0463589819249723 Energy: 1.0241164434550147 Energy: 1.0463589819257233 Energy: 1.0065677172750869 Energy: 1.0828917428142157 Energy: 1.02303979228591 Energy: 1.0828917428074583 Energy: 0.994168572683288 Energy: 1.0465427908670304 Energy: 0.9857937093500231 Energy: 1.0465427908662794 Energy: 1.1321753733625217 Energy: 1.0444188348346868 Energy: 0.9879190064055484 Energy: 1.0444188348376902 Energy: 1.1294313997618848 Energy: 1.0284275085932726 Energy: 0.9907714953466393 Energy: 1.0284275085925216 Energy: 1.0297089616242303 Energy: 1.044400221353981 Energy: 1.007715196160357 Energy: 1.0444002213592367 Energy: 0.997439974940665 Energy: 1.074015971822251 Energy: 1.091973267012958 Energy: 1.0740159718199986 Energy: 1.0237359355639506 Energy: 1.0874749857749817 Energy: 1.0163456301467844 Energy: 1.0874749857749817 Energy: 0.9878576323868068 Energy: 1.0063035380690317 Energy: 1.0196945116879483 Energy: 1.006303538072786 Energy: 1.1826712291750892 Energy: 1.0439772563438643 Energy: 1.007385573758946 Energy: 1.0439772563438643 Energy: 0.9963481836852363 Energy: 1.029612621521507 Energy: 1.0939704792516 Energy: 1.0296126215305172 Energy: 1.177776194097809 Energy: 1.0599659219197999 Energy: 0.9871738507642682 Energy: 1.0599659219265574 Energy: 1.0190068297925885 Energy: 1.0878598007798044 Energy: 0.980321603104999 Energy: 1.087859800777552 minimum gb energy = 0.980321603104999 eV minimum distance = 2.22534944457979 Angstroms sigma value = 1 ======================================== theta = 61.92751306414704 ======================================== Energy: 0.9970416693202309 Energy: 0.994452451776628 Energy: 0.9735025111622981 Energy: 0.9944524517745515 Energy: 0.9910117604235764 Energy: 1.0080124402987234 Energy: 0.9475610917066823 Energy: 1.008012440302876 Energy: 0.9233275926919601 Energy: 0.9939039965670138 Energy: 1.2854856526829308 Energy: 0.9939039965607847 Energy: 0.9591786081496217 Energy: 1.0563958398439433 Energy: 0.9538200059219338 Energy: 1.0563958398429052 Energy: 0.9243164798161654 Energy: 1.0879945068595474 Energy: 1.1385895176448464 Energy: 1.0879945068595474 Energy: 0.9298680245823081 Energy: 1.0011042311965088 Energy: 0.9494050074829948 Energy: 1.0011042311996234 Energy: 0.9234459570877701 Energy: 1.0886331613533937 Energy: 0.969262841755692 Energy: 1.0886331613565083 Energy: 0.9235270599287597 Energy: 1.002300452423423 Energy: 0.9899077310526172 Energy: 1.0023004524213466 Energy: 0.9939406305453218 Energy: 0.9909858513566149 Energy: 0.9779673628814654 Energy: 0.9909858513566149 Energy: 0.9938554560313204 Energy: 0.9909456447579568 Energy: 0.9821308535836385 Energy: 0.9909456447589714 Energy: 0.9235283006948196 Energy: 1.0023319275641098 Energy: 0.9898464653385411 Energy: 1.0023319275630718 Energy: 0.9234163393769674 Energy: 1.0885825095840092 Energy: 0.9643506614404738 Energy: 1.088582509581933 Energy: 0.9298555353921468 Energy: 1.0010366588876614 Energy: 0.9494025906766792 Energy: 1.001036658886623 Energy: 0.92373289272781 Energy: 1.0879756486701626 Energy: 1.0995036222983958 Energy: 1.0879756486680863 Energy: 0.9591703662844422 Energy: 1.0563795277796422 Energy: 0.9538173059318431 Energy: 1.0563795277786039 Energy: 0.9233222912475691 Energy: 0.9939885943507537 Energy: 1.0127543348215031 Energy: 0.9939885943528302 Energy: 0.9909955590364189 Energy: 1.0080269894155842 Energy: 0.9476497795248673 Energy: 1.0080269894114313 Energy: 0.9970416693202309 Energy: 0.9944524517776662 Energy: 1.1380914029949218 Energy: 0.9944524517745515 Energy: 0.991011760426691 Energy: 1.0080124402997614 Energy: 0.9475610917077205 Energy: 1.008012440301838 Energy: 0.9233275926929982 Energy: 0.9939039965659755 Energy: 1.2854856526829308 Energy: 0.9939039965607847 Energy: 0.9591786081465071 Energy: 1.0563958398439433 Energy: 0.9538200059219338 Energy: 1.0563958398439433 Energy: 0.9243164798172036 Energy: 1.0879945068585093 Energy: 1.138589517643808 Energy: 1.0879945068595474 Energy: 0.9298680245812699 Energy: 1.0011042311954708 Energy: 0.9494050074829948 Energy: 1.0011042311996234 Energy: 0.9234459570856938 Energy: 1.0886331613533937 Energy: 0.9692628417588066 Energy: 1.0886331613565083 minimum gb energy = 0.9233222912475691 eV minimum distance = 2.25219955548588 Angstroms sigma value = 17 ======================================== theta = 64.01076641616699 ======================================== Energy: 0.9793577822942869 Energy: 0.9767137387299644 Energy: 1.1334744590223678 Energy: 0.9767137387312477 Energy: 1.1279720335583567 Energy: 0.9616848356214578 Energy: 0.9343714585037484 Energy: 0.9616848356246662 Energy: 0.933981256864676 Energy: 0.9643840616147182 Energy: 1.1633560163414527 Energy: 0.9643840616134932 Energy: 0.97104647255654 Energy: 1.1289220569028169 Energy: 0.9354182627619759 Energy: 1.1289220569028169 Energy: 0.9272934254286626 Energy: 1.0392846617631266 Energy: 1.1666077143395468 Energy: 1.0392846617605598 Energy: 0.9172075790582587 Energy: 0.9491550933148031 Energy: 0.9510320193259527 Energy: 0.9491550933353369 Energy: 0.9383456297899108 Energy: 1.0240234006032924 Energy: 0.9863075651979593 Energy: 1.0240234006013675 Energy: 0.9209304857586522 Energy: 1.1512183179932138 Energy: 0.9269215939536538 Energy: 1.151218317997706 Energy: 0.9813578981458264 Energy: 0.9569715937289336 Energy: 0.9687960230996598 Energy: 0.9569715937212335 Energy: 0.9844735347279788 Energy: 0.95693353502607 Energy: 0.9370835954462388 Energy: 0.9569335350331284 Energy: 0.9382717887579574 Energy: 0.9329665237893684 Energy: 0.9256705375309084 Energy: 0.9329665237887267 Energy: 0.9394733098990218 Energy: 1.012812108939422 Energy: 0.9252266646754632 Energy: 1.012812108943914 Energy: 0.9170708507860931 Energy: 0.9514101640190853 Energy: 0.9352294976625959 Energy: 0.9514101639607507 Energy: 0.9230867784774727 Energy: 1.0384209937649505 Energy: 1.0003275690632971 Energy: 1.0384209937649505 Energy: 0.9275026524147134 Energy: 0.9403189490791315 Energy: 0.9867604504870859 Energy: 0.9403189490746399 Energy: 0.9434584414216611 Energy: 0.9654992951910796 Energy: 1.1674659131293166 Energy: 0.9654992951917214 Energy: 0.9489628428871838 Energy: 0.9370426913812618 Energy: 0.9351916594660161 Energy: 0.9370426913825451 Energy: 0.9301286872184081 Energy: 0.9772058099662546 Energy: 0.9406318954293081 Energy: 0.9772058099681796 Energy: 1.0748813497182133 Energy: 1.016940263884877 Energy: 0.935024072511374 Energy: 1.016940263888727 Energy: 0.9454968272379657 Energy: 0.9645418373449303 Energy: 0.9695592370891344 Energy: 0.9645418373468552 Energy: 1.0930346290305357 Energy: 0.9534354188189011 Energy: 0.9354997064156084 Energy: 0.9534354188176177 Energy: 0.9353943057135049 Energy: 1.0118089294571124 Energy: 0.9352787625047807 Energy: 1.0118089294577541 Energy: 1.0733511670719509 Energy: 0.9422775583282583 Energy: 0.9493624269557517 Energy: 0.9422775583327501 Energy: 0.9365153321382369 Energy: 1.025571479044341 Energy: 1.0898241912532007 Energy: 1.0255714790456245 Energy: 0.9565158699031785 Energy: 0.9779633265363951 Energy: 0.9316305428857236 Energy: 0.9779633265338282 Energy: 0.9363994381803459 Energy: 1.0403323498109913 Energy: 0.9581659523845277 Energy: 1.040332349811633 Energy: 1.069426688693027 Energy: 0.9986099918497222 Energy: 0.9373811278252642 Energy: 0.9986099918510056 Energy: 0.9908248159703354 Energy: 0.9400760136545624 Energy: 0.9259940315591564 Energy: 0.9400760136577706 Energy: 0.9757171487124143 Energy: 1.0382452068925472 Energy: 0.9238922947533308 Energy: 1.0382452068931889 Energy: 0.9366834669142582 Energy: 0.9499844026063479 Energy: 0.9666607759551484 Energy: 0.9499844026108396 Energy: 0.9238327002494673 Energy: 1.0382046625559311 Energy: 0.9351301188834912 Energy: 1.0382046625552894 Energy: 0.9259142457806131 Energy: 0.935371301507828 Energy: 0.9408778601570519 Energy: 0.9353713015084696 Energy: 0.9375629231148328 Energy: 1.0078092567694505 Energy: 1.1001872738034009 Energy: 1.0078092567662422 Energy: 0.9698846638958976 Energy: 0.9573841006107994 Energy: 0.9554233841666013 Energy: 0.9573841006127243 Energy: 0.9267593477701039 Energy: 0.9778903791439735 Energy: 0.9585488919265107 Energy: 0.9778903791426903 Energy: 0.9888132820632938 Energy: 1.0254929086607987 Energy: 0.9371619117502504 Energy: 1.0254929086614404 Energy: 0.9494084903935601 Energy: 0.9502349813888515 Energy: 0.9177736581705422 Energy: 0.9502351296497407 Energy: 0.9433863206151463 Energy: 1.0407780542997775 Energy: 0.9359393111148314 Energy: 1.0407780542997775 minimum gb energy = 0.9170708507860931 eV minimum distance = 2.23324835206143 Angstroms sigma value = 89 ======================================== theta = 67.38013505195957 ======================================== Energy: 0.8649097186664443 Energy: 0.8634446340746157 Energy: 1.1017955946428875 Energy: 0.8634446340746157 Energy: 0.8661607000063167 Energy: 0.892924303721043 Energy: 0.8743923672144068 Energy: 0.892924303721043 Energy: 0.8715822365019433 Energy: 1.0197825364944895 Energy: 1.2099245313036422 Energy: 1.0197825364928106 Energy: 0.8523612687708723 Energy: 0.8929396966224106 Energy: 0.8750538051633491 Energy: 0.8929396966224106 Energy: 0.8636357303624875 Energy: 0.9521515297998595 Energy: 0.8756319272675427 Energy: 0.9521515297981806 Energy: 0.8651336696531866 Energy: 0.8648608551582858 Energy: 0.865979587419134 Energy: 0.8648608551582858 Energy: 0.8716901105162883 Energy: 1.018329679064466 Energy: 0.8654281583934164 Energy: 1.0183296790661067 Energy: 0.8549674630600711 Energy: 1.0178286032008343 Energy: 0.8745009760300679 Energy: 1.0178286032008343 Energy: 0.8638138893419472 Energy: 0.9523235739431429 Energy: 0.8548777696721789 Energy: 0.9523235739431429 Energy: 0.8924651070543663 Energy: 0.9512850665332044 Energy: 0.8654809605228839 Energy: 0.9512850665315257 Energy: 0.8619580844609118 Energy: 0.8938025237616306 Energy: 0.8649740546453192 Energy: 0.8938025237616306 Energy: 0.8730032810762565 Energy: 1.0192651937132469 Energy: 0.8728770577082741 Energy: 1.0192651937132469 Energy: 0.8639144477395813 Energy: 0.8676867027992005 Energy: 0.8526957172630728 Energy: 0.8676867028008795 Energy: 0.8655405871383903 Energy: 0.9532560410241457 Energy: 0.8653648282850961 Energy: 0.9532560410258246 Energy: 0.8541415355839791 Energy: 0.8676527384605262 Energy: 0.864015593382816 Energy: 0.8676527384588472 minimum gb energy = 0.8523612687708723 eV minimum distance = 2.28824822033578 Angstroms sigma value = 13 ======================================== theta = 71.07535558394876 ======================================== Energy: 0.9232698932792055 Energy: 0.9704340806359026 Energy: 1.0280210412295634 Energy: 0.9704340806337914 Energy: 1.0322487090721824 Energy: 0.8369871552380866 Energy: 0.8001668515997981 Energy: 0.8369871552380866 Energy: 0.8267410036291793 Energy: 0.8166660861647871 Energy: 0.9666659862867987 Energy: 0.8166660861809725 Energy: 0.8342174714846878 Energy: 0.837336439897379 Energy: 0.8072973879710695 Energy: 0.8373364398980827 Energy: 0.8191735167208499 Energy: 1.0735856057864692 Energy: 0.8829790685202396 Energy: 1.073585605782951 Energy: 0.8025124312871413 Energy: 0.8373112371276121 Energy: 0.9012028745578633 Energy: 0.8373112371346173 Energy: 0.8191041334807084 Energy: 0.884241321857772 Energy: 1.2147747288975517 Energy: 0.8842413218584758 Energy: 0.7954954100112462 Energy: 0.8374152559336264 Energy: 0.9012276044261731 Energy: 0.8374152559251817 Energy: 0.8171672665990676 Energy: 0.8927708890575007 Energy: 1.0643408415911182 Energy: 0.8927708890652416 Energy: 0.9688901485596907 Energy: 0.8991057691774913 Energy: 0.8074947745369826 Energy: 0.899105769178195 Energy: 0.8283773363051496 Energy: 0.8992656211947255 Energy: 0.8102529673820957 Energy: 0.8992656211841696 Energy: 1.1513503064857824 Energy: 0.8991547716485117 Energy: 0.8069396920200924 Energy: 0.8991547716534378 Energy: 0.8496025604422927 Energy: 0.8232875523409244 Energy: 0.8045980368509876 Energy: 0.8232875523317762 Energy: 1.0996561192825345 Energy: 0.8994901897171966 Energy: 0.8065218223215187 Energy: 0.8994901897164929 Energy: 0.8285419478468026 Energy: 0.8171731289365889 Energy: 0.8030711602121509 Energy: 0.8171731289281443 Energy: 0.8966130517881651 Energy: 0.8996502924238219 Energy: 0.8134116624267593 Energy: 0.8996502924266367 Energy: 0.8210815472917251 Energy: 0.8161235245249916 Energy: 0.8123195136881132 Energy: 0.816123524513732 Energy: 0.820380578155259 Energy: 0.8820346846741774 Energy: 0.9071692835125346 Energy: 0.8820346846769922 Energy: 0.8198692465694449 Energy: 0.8823322705441838 Energy: 0.9071445056447082 Energy: 0.8823322705441838 Energy: 0.8195249954846349 Energy: 0.9837399907301784 Energy: 0.9076209267992993 Energy: 0.9837399907273635 Energy: 0.8201130717966497 Energy: 0.8919937578795145 Energy: 0.9068798609125757 Energy: 0.8919937578752921 Energy: 0.8164623819661574 Energy: 0.8169810972871845 Energy: 0.810406062448834 Energy: 0.8169810972780361 Energy: 0.8972680049852327 Energy: 0.8995489147815274 Energy: 0.8118640455816726 Energy: 0.8995489147836386 Energy: 0.828452219934762 Energy: 0.8167031965310748 Energy: 0.8010918444188587 Energy: 0.8167031965360009 Energy: 1.1352070540936388 Energy: 0.8991873850898072 Energy: 0.8043274985432043 Energy: 0.8991873850835059 Energy: 0.9270310483131022 Energy: 0.9820973075707016 Energy: 0.8008052478623148 Energy: 0.9820973075707016 Energy: 1.084213881768246 Energy: 0.8991367988353915 Energy: 0.8004720827269914 Energy: 0.8991367988297618 Energy: 0.8283457269930242 Energy: 0.8994925693647323 Energy: 0.8099232453856035 Energy: 0.899492569365436 Energy: 0.886358674898587 Energy: 1.0091450749734394 Energy: 0.8078360651889687 Energy: 1.0091450749734394 Energy: 0.8191803075302403 Energy: 0.8841223439035839 Energy: 1.0163266046989161 Energy: 0.8841223439071023 Energy: 0.794786671220243 Energy: 0.8371667036729383 Energy: 0.9012060781761664 Energy: 0.8371667036876842 Energy: 0.8190137491295654 Energy: 0.8840460687642435 Energy: 1.1367439199410936 Energy: 0.8840460687642435 Energy: 0.8156388570218905 Energy: 0.8377970316294349 Energy: 0.901149652830964 Energy: 0.8377970316259162 Energy: 0.8195509645546164 Energy: 1.1655126890696261 Energy: 1.028630722816613 Energy: 1.1655126890773349 Energy: 0.8848076378836278 Energy: 0.8370582740574388 Energy: 0.807781689229456 Energy: 0.8370582740560314 minimum gb energy = 0.794786671220243 eV minimum distance = 2.31428466830333 Angstroms sigma value = 37 ======================================== theta = 73.73979529168804 ======================================== Energy: 0.9099167484774109 Energy: 0.9071693237894256 Energy: 0.7317962188924932 Energy: 0.9071693237906363 Energy: 0.8824404419237386 Energy: 0.7722766136066536 Energy: 0.7296693550579832 Energy: 0.7722766136078368 Energy: 0.7670366709897857 Energy: 0.8741647055131541 Energy: 1.026993954626503 Energy: 0.8741647055119433 Energy: 0.8487616428380177 Energy: 0.7727481170164424 Energy: 0.7468332616069797 Energy: 0.7727481170176532 Energy: 0.7464488139024892 Energy: 0.7721829330868291 Energy: 0.7578365382070943 Energy: 0.7721829330892506 Energy: 0.7386799101748459 Energy: 0.7723559968077883 Energy: 0.8629490256187745 Energy: 0.772355996808999 Energy: 0.7557362491835478 Energy: 1.3342066179182221 Energy: 1.087657021931147 Energy: 1.33420661791459 Energy: 0.7282819086672535 Energy: 0.7737570239329067 Energy: 0.7717110384086961 Energy: 0.7737570239353282 Energy: 0.7427147005996672 Energy: 0.7718843614822467 Energy: 0.9690394320409532 Energy: 0.7718843614798253 Energy: 1.0325240870734915 Energy: 0.8660050742500729 Energy: 0.862561079098095 Energy: 0.8660050742512836 Energy: 0.7614129049679917 Energy: 1.2632552971419875 Energy: 0.8486805153357214 Energy: 1.26325529714562 Energy: 1.0394752120523598 Energy: 0.7728106501087709 Energy: 0.7463779358509701 Energy: 0.7728106501075603 Energy: 0.8627218894470935 Energy: 0.7718758409355153 Energy: 0.7325886091525673 Energy: 0.7718758409355153 Energy: 1.088543321626622 Energy: 0.8090268711205294 Energy: 0.7285049411744692 Energy: 0.8090268711217401 Energy: 0.9069103759136228 Energy: 0.9185230183941319 Energy: 0.7298150860211973 Energy: 0.9185230183929212 Energy: 0.9092688895863132 Energy: 0.7723804756884898 Energy: 0.7321367303894961 Energy: 0.7723804756884898 Energy: 0.8628101934029166 Energy: 0.8651629214824663 Energy: 0.7267910012754348 Energy: 0.8651629214812555 Energy: 0.8497636132410284 Energy: 0.8386965404740824 Energy: 0.7437537161575561 Energy: 0.8386965404740824 Energy: 0.746223769784626 Energy: 0.7746351130040414 Energy: 0.7429468791067455 Energy: 0.7746351130040414 Energy: 0.7428785363994167 Energy: 0.772798971531484 Energy: 0.8527457397471472 Energy: 0.7727989715326947 minimum gb energy = 0.7267910012754348 eV minimum distance = 2.32848869124175 Angstroms sigma value = 25 ======================================== theta = 77.31961650818018 ======================================== Energy: 0.704912089122034 Energy: 0.6627142481048998 Energy: 0.6499661753272785 Energy: 0.6627142481048998 Energy: 1.0139282345920986 Energy: 0.6800917711647566 Energy: 0.6640848629525173 Energy: 0.6800917711647566 Energy: 0.6617048208702042 Energy: 0.6609122662751211 Energy: 1.14810310148319 Energy: 0.6609122662741757 Energy: 0.8263989138900028 Energy: 0.6800222622780139 Energy: 0.6645338773308302 Energy: 0.6800222056228639 Energy: 0.6635081888127845 Energy: 0.6801390391251199 Energy: 0.6386597621812027 Energy: 0.6801390391307924 Energy: 0.6383198113835953 Energy: 0.6796351546397807 Energy: 0.6640822564756544 Energy: 0.6796350569984393 Energy: 0.6658648313807602 Energy: 0.6606564085129932 Energy: 0.8276024526187123 Energy: 0.6606564085158294 Energy: 0.6346138203166146 Energy: 0.7029048384005094 Energy: 0.6629235154935453 Energy: 0.7029048384005094 Energy: 0.6634498125026245 Energy: 0.680195162233379 Energy: 0.9958265756851089 Energy: 0.6801951622295973 Energy: 0.6385609187359618 Energy: 1.11457660010085 Energy: 0.7059153578512348 Energy: 1.1145766000999044 Energy: 0.6658458131711954 Energy: 0.6607948814275443 Energy: 1.0137153918240458 Energy: 0.6607948814265988 Energy: 0.8878673734251863 Energy: 1.1732763857914328 Energy: 0.662908833503126 Energy: 1.1732763857933235 Energy: 0.663510880860612 Energy: 0.6801686228355363 Energy: 0.8283110220274434 Energy: 0.6801686228449904 Energy: 0.8809991497959133 Energy: 0.7357966550926863 Energy: 0.664037697541774 Energy: 0.7357966552505271 Energy: 0.6658838827170911 Energy: 0.6606870980005205 Energy: 0.6387108764408321 Energy: 0.6606870979995751 Energy: 0.8676531805765659 Energy: 0.7799122292923963 Energy: 0.6636248251093039 Energy: 0.7799122292999597 Energy: 0.6637237539629415 Energy: 0.7026457523178088 Energy: 0.6344039042426785 Energy: 0.7026457523178088 Energy: 0.8568996979747122 Energy: 1.135940301929844 Energy: 0.6641732092000061 Energy: 1.1359403019317351 Energy: 0.7062763847058602 Energy: 0.6607186342560308 Energy: 0.6390643687714548 Energy: 0.6607186342569762 Energy: 1.0200500621988828 Energy: 0.7798378021316681 Energy: 0.663575613006798 Energy: 0.7798378021297773 Energy: 0.6637017048341121 Energy: 0.7768761308962365 Energy: 0.6347452333489257 Energy: 0.7768761308962365 Energy: 0.6602274267293177 Energy: 0.6801459078622731 Energy: 0.6642651804077915 Energy: 0.6801459078603823 Energy: 0.6659928182730175 Energy: 0.735280767463236 Energy: 0.88163404226672 Energy: 0.7352807674774172 Energy: 0.641411307427787 Energy: 0.7802403134349033 Energy: 0.6635351385206227 Energy: 0.7802403134358488 Energy: 0.6634559215396905 Energy: 0.7766033922183673 Energy: 0.8652169596824442 Energy: 0.7766033922164765 Energy: 0.6385093313564683 Energy: 0.7029396653479186 Energy: 0.666397263697715 Energy: 0.7029396653479186 minimum gb energy = 0.6344039042426785 eV minimum distance = 2.3355971364704 Angstroms sigma value = 41 ======================================== theta = 79.61114218453038 ======================================== Energy: 0.9081214221784024 Energy: 0.6105767427970119 Energy: 0.867538029303567 Energy: 0.6105767428016625 Energy: 1.0224104867741626 Energy: 0.5967568908985224 Energy: 0.5892551822538387 Energy: 0.5967568908977472 Energy: 0.6104591527135889 Energy: 0.586685246097577 Energy: 0.5775277002559978 Energy: 0.5866852460991272 Energy: 0.8830771980919452 Energy: 0.8374886181294992 Energy: 0.5891288819505343 Energy: 0.8374972704136606 Energy: 0.5858068048217532 Energy: 0.7742025108952333 Energy: 0.5854044558762619 Energy: 0.7742025108665551 Energy: 0.732167862609041 Energy: 0.5972178233546651 Energy: 0.589072386275415 Energy: 0.5972190209528192 Energy: 0.5885843224488755 Energy: 0.5970016125063371 Energy: 0.5918552457344997 Energy: 0.5970016125125378 Energy: 0.5731920968862161 Energy: 0.6102179231548214 Energy: 0.58649174259247 Energy: 0.6102179231540464 Energy: 0.5910426095417217 Energy: 1.0392625872636676 Energy: 0.9932217551454922 Energy: 1.0392625872636676 Energy: 0.5775489392584808 Energy: 0.5868155394556526 Energy: 0.6111965979614995 Energy: 0.5868151427111551 Energy: 0.5884567037129455 Energy: 0.9988081986045941 Energy: 1.0305181785272985 Energy: 0.9988081985976185 Energy: 0.5731031278037989 Energy: 0.9945893530133009 Energy: 0.9086391659320139 Energy: 0.994589353014851 Energy: 0.5910927815611345 Energy: 0.6105900258187636 Energy: 1.0945912444171044 Energy: 0.6105900258265144 Energy: 0.7808574282459112 Energy: 0.6760258426564383 Energy: 0.6112217638870961 Energy: 0.6760258426564383 Energy: 0.5885187833898142 Energy: 0.5971498214119059 Energy: 0.8839956018385726 Energy: 0.5971498214095806 Energy: 0.7788185575865683 Energy: 1.0448166667281102 Energy: 0.5865202002792478 Energy: 1.0448166667281102 Energy: 0.5911038771529019 Energy: 0.6125442994333697 Energy: 0.7306377022359544 Energy: 0.6125442994333697 Energy: 0.774321149749375 Energy: 0.674826458329652 Energy: 0.5892428102218517 Energy: 0.674826458328877 Energy: 0.5884742015328972 Energy: 0.6101096724574525 Energy: 0.5734373704961925 Energy: 0.6101096724574525 Energy: 0.7758278465552093 Energy: 1.0302947806377518 Energy: 0.5901437023504313 Energy: 1.030294780634687 Energy: 0.6127253062928197 Energy: 0.6109699907378775 Energy: 0.5705694665155276 Energy: 0.6109699907378775 Energy: 1.0280095619067462 Energy: 0.6261161891265078 Energy: 0.5893064884606062 Energy: 0.6261161891265078 Energy: 0.9101417497225115 Energy: 0.6096673899352968 Energy: 0.5736730515517603 Energy: 0.6096673899430476 Energy: 0.9122906919555981 Energy: 1.0385352713370513 Energy: 0.5901077453294188 Energy: 1.0385352713370513 Energy: 0.6131593602509442 Energy: 0.6741904591616757 Energy: 0.5761243157963836 Energy: 0.6741904591616757 Energy: 0.8919832110241366 Energy: 0.6259946673120265 Energy: 0.5893851271181588 Energy: 0.6259946673112513 Energy: 0.5884769095625246 Energy: 1.0254351965771105 Energy: 0.7763610287088709 Energy: 1.0254351965825008 Energy: 0.5852075663833581 Energy: 0.6108840908683243 Energy: 0.5901625256446011 Energy: 0.6108840908683243 Energy: 0.5911892843668756 Energy: 0.6744904308296832 Energy: 0.771115054873126 Energy: 0.6744904308296832 Energy: 0.5813470789497261 Energy: 0.6452659664148626 Energy: 0.5914141859519673 Energy: 0.6452659664156377 Energy: 0.5922790261982317 Energy: 1.0333362337638217 Energy: 0.7765560619837342 Energy: 1.0333362337630465 Energy: 0.5733661959997186 Energy: 0.610285798820583 Energy: 0.6155139783012534 Energy: 0.6102857988221332 minimum gb energy = 0.5705694665155276 eV minimum distance = 2.32207483215953 Angstroms sigma value = 15 ======================================== theta = 81.20258929000894 ======================================== Energy: 0.8172585485769095 Energy: 0.5493841551624603 Energy: 0.9982533728276294 Energy: 0.5493841551631169 Energy: 1.0342163898409034 Energy: 0.5466848079924989 Energy: 0.5483000707462957 Energy: 0.5466848079931554 Energy: 0.5683562192322963 Energy: 0.546407091884593 Energy: 1.088414226116148 Energy: 0.5464070918826232 Energy: 0.9190616931831227 Energy: 0.5477449450888606 Energy: 0.5482337389835487 Energy: 0.547744945088204 Energy: 0.5461193478155443 Energy: 0.5504608876579602 Energy: 0.5375877782973101 Energy: 0.550460887651394 Energy: 0.8003550405391854 Energy: 0.9458594130693303 Energy: 0.5481050662337991 Energy: 0.945859413068017 Energy: 0.5477220563508195 Energy: 0.556733274732252 Energy: 0.5389438098925513 Energy: 0.5567332765410175 Energy: 0.6752193843292222 Energy: 0.5571575410694788 Energy: 0.5482449818619846 Energy: 0.5571575410688223 Energy: 0.5494202812946004 Energy: 0.5579765334856791 Energy: 0.7458732522399678 Energy: 0.5579765334883056 Energy: 0.5377251413252192 Energy: 0.5473538697841985 Energy: 0.5466512778267706 Energy: 0.547353869783542 Energy: 0.547872979346913 Energy: 0.5475016574646897 Energy: 0.9513606380389842 Energy: 0.5475016574476776 Energy: 0.535918759354919 Energy: 0.8859861525605146 Energy: 0.5687867177381712 Energy: 0.885986152559858 Energy: 0.5494137083362955 Energy: 0.5579517651457544 Energy: 1.0342611550067133 Energy: 0.5579517651470677 Energy: 0.5356621065910937 Energy: 0.5491067119342133 Energy: 0.8177122319898152 Energy: 0.5491067119342133 Energy: 0.547826815267875 Energy: 0.547065001333537 Energy: 1.0318701807009765 Energy: 0.5470650013289408 Energy: 0.7050394998538038 Energy: 0.8898000783998854 Energy: 0.5687833310187593 Energy: 0.889800078400542 Energy: 0.5495409564237285 Energy: 0.5571954303453902 Energy: 0.9162843235167524 Energy: 0.5571954303460467 Energy: 0.7032648714102165 Energy: 0.7735675479497608 Energy: 0.5465363524384101 Energy: 0.7735675479477908 Energy: 0.5478869778503057 Energy: 0.5465439118582139 Energy: 0.7996034585355243 Energy: 0.5465439118569008 Energy: 0.701330196073999 Energy: 0.9347816816522323 Energy: 0.5481358373236385 Energy: 0.9347816816515757 Energy: 0.5495270756595426 Energy: 0.5681807404792045 Energy: 0.687517816267629 Energy: 0.5681807404811743 Energy: 0.6973818342634315 Energy: 0.556758549407491 Energy: 0.551311048045496 Energy: 0.5567585494068344 Energy: 0.5477865068663524 Energy: 0.546657810613498 Energy: 0.5343077493575539 Energy: 0.546657810613498 Energy: 0.9513662915380623 Energy: 0.7379833196679578 Energy: 0.5484463593379753 Energy: 0.7472050094272271 Energy: 0.5701821907755653 Energy: 0.567972112620109 Energy: 0.5366855306886993 Energy: 0.5679721126148563 Energy: 0.9278670208089276 Energy: 0.5569491876822478 Energy: 0.5513708561816805 Energy: 0.5569491876842175 Energy: 0.818961111838907 Energy: 0.5467441043000398 Energy: 0.5334893312214057 Energy: 0.5467441043006964 Energy: 1.0301427456634908 Energy: 0.9319883172938979 Energy: 0.5481677854576656 Energy: 0.9319883172938979 Energy: 0.5701107142432716 Energy: 0.620920173914994 Energy: 0.5247180481285832 Energy: 0.6209201739130241 Energy: 0.8099961256187791 Energy: 0.5567573688874795 Energy: 0.551408464547306 Energy: 0.5567573688861663 Energy: 0.5478346317705172 Energy: 0.5996345178600032 Energy: 0.7012157542948694 Energy: 0.5996345178639428 Energy: 0.798042350044032 Energy: 0.5463558204516991 Energy: 0.5482702880908121 Energy: 0.5463558204530122 Energy: 0.5495175584946824 Energy: 0.6249045219345276 Energy: 0.6986173843825145 Energy: 0.624904521933871 Energy: 0.5308045616719724 Energy: 0.5682890995255614 Energy: 0.5512431044590088 Energy: 0.5682890995255614 Energy: 0.5427465174836023 Energy: 0.5997491096354498 Energy: 0.7053878147745036 Energy: 0.5997491096347932 Energy: 0.535102575538317 Energy: 0.5464269039099049 Energy: 0.5499984397192351 Energy: 0.5464269039092482 Energy: 0.5494719794947452 Energy: 0.6212221619732722 Energy: 0.9475886954052094 Energy: 0.6212221619752419 minimum gb energy = 0.5247180481285832 eV minimum distance = 2.32551073534529 Angstroms sigma value = 85 ======================================== theta = 82.3718503314193 ======================================== Energy: 0.7722772436943333 Energy: 0.5357376918867398 Energy: 0.5526016035547191 Energy: 0.5357376918861704 Energy: 1.1271447012543723 Energy: 0.5331128362715176 Energy: 0.5000862469315163 Energy: 0.5331128362709482 Energy: 0.7368994834457051 Energy: 0.533246391758338 Energy: 0.4639729364856997 Energy: 0.533246391758338 Energy: 0.9087125846905348 Energy: 0.5331055539772807 Energy: 0.5001279345295156 Energy: 0.5331055539755721 Energy: 0.5328631325878584 Energy: 0.4990986762386611 Energy: 0.46538484650873807 Energy: 0.4990986762375222 Energy: 0.8040427744608638 Energy: 0.5335894253797512 Energy: 0.50025788785262 Energy: 0.5335894253786123 Energy: 0.49883593482017013 Energy: 0.6530186430563615 Energy: 0.49240277978707936 Energy: 0.6530186430575005 Energy: 0.6984167501429246 Energy: 0.875435918902287 Energy: 0.5002125639040387 Energy: 0.8754359189028564 Energy: 0.4998772892346425 Energy: 0.6181859850121402 Energy: 0.6141179064564333 Energy: 0.6181859852039494 Energy: 0.5884908047438625 Energy: 0.5522050076600901 Energy: 0.4992303030359186 Energy: 0.5522050074881868 Energy: 0.5010755985498163 Energy: 0.5331220495737495 Energy: 0.8039174531533735 Energy: 0.533122049575458 Energy: 0.4631290840646382 Energy: 0.5327293440243673 Energy: 0.5333978352344249 Energy: 0.5327293440243673 Energy: 0.4998837761727295 Energy: 0.5147537178396042 Energy: 0.9366856920261587 Energy: 0.5147537178384912 Energy: 0.46400464339005926 Energy: 0.5332726279606977 Energy: 0.737314543362315 Energy: 0.5332726279595588 Energy: 0.5010816258356243 Energy: 0.5331692872687166 Energy: 1.0161178291405757 Energy: 0.5331692872664388 Energy: 0.4632521013262249 Energy: 0.5358499803011951 Energy: 0.7728186900255825 Energy: 0.5358499803011951 Energy: 0.4998852990514955 Energy: 0.514677589121867 Energy: 1.015920121769654 Energy: 0.5146775891224364 Energy: 0.6179161581188687 Energy: 0.5332053489961945 Energy: 0.7373195710924452 Energy: 0.5332053490889929 Energy: 0.5011537122257741 Energy: 0.5331253067172079 Energy: 0.9085812919975997 Energy: 0.5331253067109438 Energy: 0.6134081497135639 Energy: 0.5357095864459799 Energy: 0.5333317594029515 Energy: 0.5357095864465493 Energy: 0.49985981291802706 Energy: 0.5147524184319334 Energy: 0.8043267477072891 Energy: 0.5147524184319334 Energy: 0.6109838144210129 Energy: 0.6344875985907863 Energy: 0.4991707065144289 Energy: 0.6344880118538226 Energy: 0.5010916198712617 Energy: 0.5324605030266991 Energy: 0.6984034501793009 Energy: 0.5324605030272686 Energy: 0.6213315746718371 Energy: 0.5536663185232329 Energy: 0.5001851551614358 Energy: 0.5536663185226633 Energy: 0.4999454744896194 Energy: 0.5322926547819218 Energy: 0.5902119061634429 Energy: 0.5322926547864775 Energy: 0.8380172699956744 Energy: 0.8573127263165178 Energy: 0.502049163201267 Energy: 0.8573127263148094 Energy: 0.5345300356708542 Energy: 0.5324019280880095 Energy: 0.46324772597297625 Energy: 0.532401928088579 Energy: 0.8508966971693683 Energy: 0.5542193723928696 Energy: 0.5001515296381939 Energy: 0.5542193723940084 Energy: 0.738286171871368 Energy: 0.841118736333979 Energy: 0.46405369888232917 Energy: 0.8411187363334095 Energy: 1.0160687426997532 Energy: 0.8747145186653265 Energy: 0.501860540521058 Energy: 0.8747145186658958 Energy: 0.7738900856173327 Energy: 0.53232502967177 Energy: 0.4633764734364873 Energy: 0.53232502967177 Energy: 0.9310385079844133 Energy: 0.5517815869392148 Energy: 0.5002692675904093 Energy: 0.5517815869375065 Energy: 0.7382991971214935 Energy: 0.8405215528691076 Energy: 0.46687088708048174 Energy: 0.840521552867399 Energy: 0.9085444286884051 Energy: 0.8698058324008408 Energy: 0.5020210425144733 Energy: 0.8698058324002713 Energy: 0.534663054503435 Energy: 0.5321772465970128 Energy: 0.6131323547068378 Energy: 0.5321772465970128 Energy: 0.7114563231091136 Energy: 0.5516367679404027 Energy: 0.5005248753212403 Energy: 0.5516367679409723 Energy: 0.5001314836372872 Energy: 0.634673375746683 Energy: 0.6110298509473249 Energy: 0.6346733757449747 Energy: 0.6971985155848002 Energy: 0.5323195405981788 Energy: 0.5016679941645263 Energy: 0.5323195405981788 Energy: 0.5012092101191539 Energy: 0.5323287414703218 Energy: 0.6216945385538614 Energy: 0.5323287414703218 Energy: 0.47523768472586964 Energy: 0.5724371158583736 Energy: 0.5015075199143794 Energy: 0.5724371158583736 Energy: 0.4998112552881576 Energy: 0.6344763787249851 Energy: 0.837975155488102 Energy: 0.634476378727263 Energy: 0.46325061177139065 Energy: 0.532250007181729 Energy: 0.5345685340818839 Energy: 0.532250007182868 Energy: 0.5010938987729759 Energy: 0.5322450955214644 Energy: 0.8503370917510483 Energy: 0.5322450955208949 minimum gb energy = 0.4631290840646382 eV minimum distance = 2.34719935233118 Angstroms sigma value = 113 ======================================== theta = 90.0 ======================================== Energy: 0.014713670138822937 Energy: 0.015401130382790918 Energy: 1.3062161833481296 Energy: 0.01540113038320438 Energy: 0.7240171735261405 Energy: 0.26449091629823185 Energy: 0.2640067473417961 Energy: 0.2644909162986696 Energy: 0.014713670138822937 Energy: 0.015401130382790918 Energy: 1.7574372984381164 Energy: 0.015401130382790918 Energy: 0.7240171735261405 Energy: 0.26449091629823185 Energy: 0.2640067473409448 Energy: 0.2644909162986696 Energy: 0.014713670138822937 Energy: 0.015401130382790918 Energy: 0.7239130112698691 Energy: 0.015401130382790918 Energy: 0.7240171735261405 Energy: 0.26449091629823185 Energy: 0.26400674734135826 Energy: 0.2644909162986696 minimum gb energy = 0.014713670138822937 eV minimum distance = 2.55725171507407 Angstroms sigma value = 1