Model name: model_name=EAM_Dynamo_StollerTammBeland_2016_Ni__MO_103383163946_000 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Ni Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.5200000256299973 cohesive_energy=4.423116541956746 mass=58.6934 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=120.0 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: -0.0272313164 eV ======================================== theta = 0.0 ======================================== Energy: 0.020413985882454973 Energy: 0.5083222235778244 Energy: 0.5083222235793491 Energy: 0.020413985882454973 Energy: 0.5083222235793491 Energy: 0.5083222235778244 Energy: 0.020413985882454973 Energy: 0.5083222235778244 Energy: 0.5083222235793491 Energy: 0.02041398588397956 Energy: 0.5053834011696247 Energy: 0.024428460963270445 Energy: 0.5061540945262825 Energy: 0.5053834011680999 Energy: 0.024428460963270445 Energy: 0.5061540945262825 Energy: 0.5053834011696247 Energy: 0.024428460963270445 Energy: 0.5061540945262825 Energy: 0.5053834011680999 Energy: 1.8779815877566906 Energy: 0.9391079961135669 Energy: 0.6994866953793788 Energy: 1.8779815838417904 Energy: 0.9391079961120423 Energy: 0.8144279323485526 Energy: 1.2101532410734352 Energy: 0.6994866953809035 Energy: 0.9391079961120423 Energy: 1.210153244486988 Energy: 0.5053834011711492 Energy: 0.5061540945262825 Energy: 0.024428460963270445 Energy: 0.5053834011696247 Energy: 0.5061540945262825 Energy: 0.024428460963270445 Energy: 0.5053834011711492 Energy: 0.5061540945262825 Energy: 0.024428460963270445 Energy: 0.5053834011696247 Energy: 0.020413985882454973 Energy: 0.5083222235762999 Energy: 0.5083222235747752 Energy: 0.020413985882454973 Energy: 0.5083222235762999 Energy: 0.5083222235762999 Energy: 0.020413985882454973 Energy: 0.5083222235762999 Energy: 0.5083222235747752 Energy: 0.020413985882454973 Energy: 0.5053834011711492 Energy: 0.024428460963270445 Energy: 0.5061540945262825 Energy: 0.5053834011696247 Energy: 0.024428460963270445 Energy: 0.5061540945262825 Energy: 0.5053834011711492 Energy: 0.024428460963270445 Energy: 0.5061540945262825 Energy: 0.5053834011696247 Energy: 1.21015326563431 Energy: 0.29316778678871436 Energy: 0.020983603654289362 Energy: 1.210153242670476 Energy: 0.29316778678871436 Energy: 0.020983603652764776 Energy: 1.2101532384431737 Energy: 0.29316778678871436 Energy: 0.4730664491828706 Energy: 1.2101532389307994 minimum gb energy = 0.020413985882454973 eV minimum distance = 2.20945714644252 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 1.2217690008847157 Energy: 1.5140257359940865 Energy: 1.5184224875783106 Energy: 1.1095498993953257 Energy: 1.5140257359940865 Energy: 1.518422487589514 Energy: 1.22176900088845 Energy: 1.5140257359940865 Energy: 1.5184224875820451 Energy: 1.1095498993953257 Energy: 1.2428283652718717 Energy: 1.161860439624839 Energy: 1.4612900383952065 Energy: 1.2428283652793404 Energy: 1.1618604396285734 Energy: 1.4612900383989411 Energy: 1.2428283652905439 Energy: 1.161860439624839 Energy: 1.4612900383952065 Energy: 1.242828365283075 Energy: 1.3862830649371345 Energy: 1.5325576339684168 Energy: 1.4341066100185165 Energy: 1.2974010565749394 Energy: 1.5325576339684168 Energy: 1.4341066100147821 Energy: 1.3862830649371345 Energy: 1.532557633957281 Energy: 1.434106610007313 Energy: 1.2974010565824083 Energy: 1.4497763874699623 Energy: 1.5269840330580944 Energy: 1.1101632302079378 Energy: 1.4497763874811658 Energy: 1.5269840330506252 Energy: 1.1101632302004691 Energy: 1.4497763874849001 Energy: 1.5269840330692974 Energy: 1.1101632302004691 Energy: 1.4497763874774312 Energy: 1.0503181392979033 Energy: 1.402845125584483 Energy: 1.4113654815687016 Energy: 1.0503181392829657 Energy: 1.4024347504736228 Energy: 1.4109942538550455 Energy: 1.050318139294169 Energy: 1.402845125584483 Energy: 1.4113654815649672 Energy: 1.050318139294169 Energy: 1.5188700335547352 Energy: 1.1153950383675812 Energy: 1.432641874524644 Energy: 1.5188700335510008 Energy: 1.1153950383675812 Energy: 1.432641874524644 Energy: 1.5188700335547352 Energy: 1.115395038356378 Energy: 1.4326418745321132 Energy: 1.5188700335547352 Energy: 1.5294285730473114 Energy: 1.1093893561383144 Energy: 1.6220071473994029 Energy: 1.5294285730547803 Energy: 1.10938935613458 Energy: 1.6220071474031375 Energy: 1.529428573051046 Energy: 1.109389356142049 Energy: 1.6220071473994029 Energy: 1.5294285730435768 Energy: 1.4006983676733558 Energy: 1.399946774312365 Energy: 1.1560199345012092 Energy: 1.4006983676696212 Energy: 1.399946774312365 Energy: 1.1560415890503255 Energy: 1.4006983676696212 Energy: 1.399946774316099 Energy: 1.1560199345049436 Energy: 1.4006983676658866 Energy: 1.1891079307529682 Energy: 1.6047906143129083 Energy: 1.4502770706069321 Energy: 1.1101543938699314 Energy: 1.6047906143091737 Energy: 1.450277070614401 Energy: 1.1891079307567027 Energy: 1.6047906143054391 Energy: 1.4502770706069321 Energy: 1.1101543938699314 Energy: 1.2965209752534228 Energy: 1.5806383091829372 Energy: 1.283950465125733 Energy: 1.3723966697816072 Energy: 1.5806383091717338 Energy: 1.2614107273669912 Energy: 1.2965209752496882 Energy: 1.5806383091866716 Energy: 1.2839504651219986 Energy: 1.3723966697741388 Energy: 1.4626774592164746 Energy: 1.162299913599957 Energy: 1.4462624486466853 Energy: 1.4626774592164746 Energy: 1.1622999136111603 Energy: 1.446262448642951 Energy: 1.46267745921274 Energy: 1.162299913607426 Energy: 1.446262448642951 Energy: 1.462677459220209 Energy: 1.5145323667890997 Energy: 1.4477122984749637 Energy: 1.110040699220769 Energy: 1.5145323667853652 Energy: 1.4477122984712292 Energy: 1.1100406992170346 Energy: 1.5145323667853652 Energy: 1.4477122984712292 Energy: 1.1100406992095657 Energy: 1.5145323667890997 Energy: 1.238420492670043 Energy: 1.567033430627446 Energy: 1.2773547986329228 Energy: 1.238420492670043 Energy: 1.5670085775679992 Energy: 1.2773547986291884 Energy: 1.2384204926737776 Energy: 1.567033430627446 Energy: 1.2773547986329228 Energy: 1.2384204926663085 Energy: 1.2521014898759373 Energy: 1.3325916852755717 Energy: 1.5849181704049171 Energy: 1.2521014898834062 Energy: 1.326271378548631 Energy: 1.5849181704086517 Energy: 1.2521014898759373 Energy: 1.3325916852755717 Energy: 1.5849181704086517 Energy: 1.2521014898759373 Energy: 1.508371574199645 Energy: 1.1098688441636213 Energy: 1.4629307659274158 Energy: 1.5083715742108486 Energy: 1.1098688441598867 Energy: 1.4629307659274158 Energy: 1.5083715742033796 Energy: 1.1098688441710902 Energy: 1.4629307659236812 Energy: 1.5083715742033796 Energy: 1.4096649431629846 Energy: 1.3890204224631055 Energy: 1.161586632633781 Energy: 1.40966494315925 Energy: 1.389020422451902 Energy: 1.1616039381285928 Energy: 1.40966494315925 Energy: 1.3890204224631055 Energy: 1.161586632633781 Energy: 1.4096649431629846 Energy: 1.26196472904332 Energy: 1.4811600388075992 Energy: 1.5018076907032234 Energy: 1.2619647290545235 Energy: 1.4811600388113335 Energy: 1.5018076907069575 Energy: 1.2619647290545235 Energy: 1.4811600388113335 Energy: 1.5018076907069575 Energy: 1.26196472904332 Energy: 1.227997917456467 Energy: 1.4485252296563853 Energy: 1.5849868373931992 Energy: 1.1102630008658758 Energy: 1.4485252296601197 Energy: 1.5849868373931992 Energy: 1.2279979174602016 Energy: 1.4485252296526507 Energy: 1.5849868373969338 Energy: 1.1102630008658758 Energy: 1.3919798898099396 Energy: 1.156016876923009 Energy: 1.3922007825337344 Energy: 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1.4605947457618536 Energy: 1.1101251183730236 Energy: 1.45855134083886 Energy: 1.4605947457693225 Energy: 1.1101251183767582 Energy: 1.4585513408463289 Energy: 1.4605947457655881 Energy: 1.1101251183767582 Energy: 1.4585513408463289 Energy: 1.4605947457618536 Energy: 1.3742329133207056 Energy: 1.5195647732736886 Energy: 1.251762830710245 Energy: 1.3742329133281745 Energy: 1.5195647732774231 Energy: 1.251762830717714 Energy: 1.37423291332444 Energy: 1.5195647732811577 Energy: 1.251762830710245 Energy: 1.3742329133207056 Energy: 1.2557418362788517 Energy: 1.4700612999896865 Energy: 1.16245754308501 Energy: 1.2557418362825863 Energy: 1.4700612999896865 Energy: 1.1623071120501816 Energy: 1.2557418362713828 Energy: 1.4700612999896865 Energy: 1.1624575430775408 Energy: 1.2557418362713828 Energy: 1.1852786898660506 Energy: 1.514025735990352 Energy: 1.518422487574576 Energy: 1.1095498993953257 Energy: 1.514025735990352 Energy: 1.518422487589514 Energy: 1.1852786898660506 Energy: 1.514025735990352 Energy: 1.5184224875857795 Energy: 1.1095498993953257 Energy: 1.2428283652718717 Energy: 1.161860439624839 Energy: 1.4612900383989411 Energy: 1.2428283652793404 Energy: 1.161860439624839 Energy: 1.4612900383952065 Energy: 1.2428283652868095 Energy: 1.1618604396211047 Energy: 1.4612900383989411 Energy: 1.2428283652793404 Energy: 1.3996556721869151 Energy: 1.5325576339646825 Energy: 1.4341066100185165 Energy: 1.3878179343825818 Energy: 1.5325576339758857 Energy: 1.4341066100147821 Energy: 1.3996556721981182 Energy: 1.532557633957281 Energy: 1.4341066100035789 Energy: 1.3878179343825818 Energy: 1.4497763874774312 Energy: 1.526984033080501 Energy: 1.1101632302079378 Energy: 1.4497763874849001 Energy: 1.5269840330767663 Energy: 1.1101632302079378 Energy: 1.4497763874849001 Energy: 1.526984033061829 Energy: 1.1101632302042033 Energy: 1.4497763874774312 minimum gb energy = 1.0503181392829657 eV minimum distance = 2.28350754590894 Angstroms sigma value = 75 ======================================== theta = 34.04773236999154 ======================================== Energy: 1.450204431551613 Energy: 1.2090757894123874 Energy: 1.2093381368173264 Energy: 1.3628307519687637 Energy: 1.2090757894105653 Energy: 1.209338136815504 Energy: 1.4502044315570797 Energy: 1.2090757894142097 Energy: 1.209338136815504 Energy: 1.3628307519669416 Energy: 1.369410644273248 Energy: 1.3730702148022829 Energy: 1.5188065269420885 Energy: 1.3694106442750704 Energy: 1.3730702147986382 Energy: 1.5188065269475552 Energy: 1.3694106442659593 Energy: 1.3730702147949936 Energy: 1.5188065269493776 Energy: 1.3694106442659593 Energy: 1.370662441954738 Energy: 1.4041809529447595 Energy: 1.2117100640657958 Energy: 1.3628946949030603 Energy: 1.404180952950226 Energy: 1.2117100640694405 Energy: 1.37066244195656 Energy: 1.404180952950226 Energy: 1.2117100640749072 Energy: 1.362894694901238 Energy: 1.3316086330634334 Energy: 1.3323441735089085 Energy: 1.213256310747794 Energy: 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1.270242826679516 minimum gb energy = 1.1141308534640282 eV minimum distance = 2.17589792233319 Angstroms sigma value = 185 ======================================== theta = 62.96430821058772 ======================================== Energy: 1.178254400044211 Energy: 0.6858485475344477 Energy: 0.6605975415650175 Energy: 0.8249362356480474 Energy: 0.6858485475324974 Energy: 0.6605975415604668 Energy: 1.1782544000351096 Energy: 0.6858485475296016 Energy: 0.6605975415650175 Energy: 0.8249362356480474 Energy: 1.0218082013540846 Energy: 0.6490151040487406 Energy: 0.8913495700510672 Energy: 0.8858837717730166 Energy: 0.6490151040438945 Energy: 1.1398821284182155 Energy: 1.021808201350184 Energy: 0.6490151040529367 Energy: 0.8913495700416705 Energy: 0.8858837717804631 Energy: 0.8147952280390524 Energy: 0.6891801799748851 Energy: 0.8295712865382846 Energy: 0.8623031152326414 Energy: 0.6891801799755353 Energy: 0.7407175573062024 Energy: 0.8147952280354473 Energy: 0.6891801799703346 Energy: 0.8295712865343841 Energy: 0.862303115229391 Energy: 1.0884795805875422 Energy: 0.6618741612723751 Energy: 0.9361156922631481 Energy: 1.0884795805878968 Energy: 0.6618741612713706 Energy: 0.8708084607638122 Energy: 1.0884795805846466 Energy: 0.6618741612694202 Energy: 0.9361156922614933 Energy: 1.0884795805839966 Energy: 0.6611385037003464 Energy: 0.6835912834922634 Energy: 0.8223337597185442 Energy: 0.6611385037000508 Energy: 0.6835912834903132 Energy: 0.7826395821207852 Energy: 0.6611385037007009 Energy: 0.6835912834925589 Energy: 0.8223337597120434 Energy: 0.6611385037052515 Energy: 0.9827990829829449 Energy: 0.9488816747626878 Energy: 0.9071524683901324 Energy: 0.9827990829826494 Energy: 0.8881630662350458 Energy: 0.8713902208869259 Energy: 0.982799082984245 Energy: 0.9488816747626878 Energy: 0.9071524683959833 Energy: 0.9827990829865498 Energy: 0.66147933569733 Energy: 0.9010811339664158 Energy: 1.1024691242276545 Energy: 0.6614793356934293 Energy: 0.9013870656021811 Energy: 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0.8743513431207262 Energy: 1.0884795805826961 Energy: 0.6618741612671745 Energy: 0.9352752165203599 Energy: 1.088479580584942 Energy: 0.6618741612710749 Energy: 0.8710269313016554 Energy: 1.088479580584942 Energy: 0.6618741612707203 Energy: 0.9352752165200644 Energy: 1.088479580583642 Energy: 0.6611385037022967 Energy: 0.6835912834893084 Energy: 0.8172482507226924 Energy: 0.6611385037016465 Energy: 0.6835912834903132 Energy: 0.8295732043182698 Energy: 0.6611385036996963 Energy: 0.6835912834942136 Energy: 0.8172482507223968 Energy: 0.6611385037039514 Energy: 0.982799082983595 Energy: 0.9668619978177615 Energy: 0.9071524683894824 Energy: 0.9827990829816448 Energy: 1.021362315998944 Energy: 0.865312585139579 Energy: 0.9827990829777442 Energy: 0.9668619978145702 Energy: 0.9071524683985837 Energy: 0.9827990829829449 Energy: 0.6614793356992802 Energy: 0.9424081693484417 Energy: 1.1024691242299003 Energy: 0.66147933569733 Energy: 0.9072102876334912 Energy: 1.1024691242325009 Energy: 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1.088479580587247 Energy: 0.6618741612665244 Energy: 0.9361156922634434 Energy: 1.0884795805855918 Energy: 0.6618741612694202 Energy: 0.8708084607661172 Energy: 1.0884795805859466 Energy: 0.6618741612687701 Energy: 0.9361156922585975 Energy: 1.0884795805875422 Energy: 0.6611385037026511 Energy: 0.6835912834932091 Energy: 0.8223337597175394 Energy: 0.6611385037000508 Energy: 0.6835912834929134 Energy: 0.7826395821201352 Energy: 0.6611385036983961 Energy: 0.6835912834935636 Energy: 0.8223337597155892 Energy: 0.661138503705547 Energy: 0.9827990829858998 Energy: 0.9488816747639882 Energy: 0.9071524683927328 Energy: 0.9827990829865498 Energy: 0.8881630662379416 Energy: 0.8713902208901764 Energy: 0.9827990829829449 Energy: 0.9488816747590829 Energy: 0.907152468398879 Energy: 0.9827990829865498 Energy: 0.6614793356940795 Energy: 0.9010811339680707 Energy: 1.102469124230905 Energy: 0.6614793356966798 Energy: 0.9013870656093319 Energy: 1.1024691242364013 Energy: 0.6614793356992802 Energy: 0.9010811339667705 Energy: 1.1024691242344509 Energy: 0.66147933569798 Energy: 0.9607185531871799 Energy: 0.8300880211192632 Energy: 0.6842152544404083 Energy: 0.9607185531819792 Energy: 0.8173934935017899 Energy: 0.6842152544290613 Energy: 0.9607185531790243 Energy: 0.8300880211153627 Energy: 0.6842152544319571 Energy: 0.9607185531881255 Energy: 0.8361988244179986 Energy: 0.9061116452921826 Energy: 0.6603088558833717 Energy: 0.7610862169809183 Energy: 0.9426705511488408 Energy: 0.6603088558833717 Energy: 0.8361988244108476 Energy: 0.9061116453002792 Energy: 0.6603088558807713 Energy: 0.7610862169812728 Energy: 0.8147027598614508 Energy: 0.7727433011813073 Energy: 0.6492378078760591 Energy: 0.8742604212308058 Energy: 0.8173413894700964 Energy: 0.6492378078777139 Energy: 0.8147027598623964 Energy: 0.7727433011852078 Energy: 0.6492378078728087 Energy: 0.874260421232106 Energy: 0.9911434338295682 Energy: 1.0536548100652827 Energy: 0.6848697552402453 Energy: 0.9212965781205691 Energy: 1.0536548100652827 Energy: 0.6848697552398907 Energy: 0.9911434338292727 Energy: 1.0536548100711336 Energy: 0.6848697552402453 Energy: 0.9212965781196235 minimum gb energy = 0.6490151040428899 eV minimum distance = 2.30369831527867 Angstroms sigma value = 33 ======================================== theta = 69.97282751604145 ======================================== Energy: 1.1040191214763482 Energy: 1.1530025725147883 Energy: 1.1523813150191482 Energy: 1.0527003387305016 Energy: 1.1530025725130038 Energy: 1.1523813150227171 Energy: 1.1040191214727793 Energy: 1.1530025725112194 Energy: 1.1523813150262856 Energy: 1.0527003387305016 Energy: 1.1311073896972506 Energy: 1.0684642943821323 Energy: 1.1039102627653123 Energy: 1.1311073896990351 Energy: 1.0684642943839167 Energy: 1.1039102627635278 Energy: 1.1311073896972506 Energy: 1.0684642943821323 Energy: 1.1039102627653123 Energy: 1.1311073897008195 Energy: 1.1976469544235915 Energy: 1.0544422605272676 Energy: 1.1420789610591844 Energy: 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1.4356122387064376 Energy: 1.4384337541958296 Energy: 1.5098045660451267 Energy: 1.4356122387173673 Energy: 1.438433754187118 Energy: 1.509804566049483 Energy: 1.4356122387107937 Energy: 1.4384337541696939 Energy: 1.5098045660538386 Energy: 1.4356122387173673 Energy: 1.6057530750061584 Energy: 1.553518184432379 Energy: 1.448293894738133 Energy: 1.6057530750170086 Energy: 1.5535181844237462 Energy: 1.4482951926121554 Energy: 1.6057530750018023 Energy: 1.553518184428102 Energy: 1.4482938947403503 Energy: 1.6057530749995848 Energy: 1.441868223675705 Energy: 1.7228913785557265 Energy: 1.4684948572764296 Energy: 1.4418682236692106 Energy: 1.7228913785405202 Energy: 1.4684948572807852 Energy: 1.441868223684417 Energy: 1.7228913785514497 Energy: 1.468494857274212 Energy: 1.441868223675705 Energy: 1.467324825053776 Energy: 1.5053771775814033 Energy: 1.4324136149109936 Energy: 1.467324825047282 Energy: 1.505363978453345 Energy: 1.4324136149240616 Energy: 1.467324825058132 Energy: 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1.5277558755963583 Energy: 1.4535311747300592 Energy: 1.5304381971991434 Energy: 1.5277558756029317 Energy: 1.453531174727921 Energy: 1.5304381972057168 Energy: 1.4396835369605705 Energy: 1.57025810639975 Energy: 1.504462528571709 Energy: 1.439683536958432 Energy: 1.5702581064106003 Energy: 1.504462528571709 Energy: 1.439683536967144 Energy: 1.570258106417174 Energy: 1.504462528571709 Energy: 1.4396835369540761 Energy: 1.512015165841218 Energy: 1.446872505903774 Energy: 1.4495918465370143 Energy: 1.5120151658455738 Energy: 1.4468725059015564 Energy: 1.4495918465304407 Energy: 1.5120151658477121 Energy: 1.4468725058994178 Energy: 1.4495918465435085 Energy: 1.512015165841218 minimum gb energy = 1.412126298995408 eV minimum distance = 2.17262653639607 Angstroms sigma value = 293 ======================================== theta = 91.16938280561406 ======================================== Energy: 1.4793362985273923 Energy: 1.6595104657192759 Energy: 1.5127130088171004 Energy: 1.4736677881808147 Energy: 1.659510465724611 Energy: 1.5127130088171004 Energy: 1.4793362985273923 Energy: 1.6595104657272783 Energy: 1.512713008814433 Energy: 1.4736677881808147 Energy: 1.5213306908222997 Energy: 1.4339528344069605 Energy: 1.5190659577164944 Energy: 1.5213306908222997 Energy: 1.433952834409628 Energy: 1.5190659577218295 Energy: 1.521330690814297 Energy: 1.4339528344149628 Energy: 1.5190659577164944 Energy: 1.521330690814297 Energy: 1.4312190678393284 Energy: 1.4237511929960533 Energy: 1.4297526032847367 Energy: 1.4312190678419958 Energy: 1.4238047874961663 Energy: 1.4297526032900718 Energy: 1.4312190678419958 Energy: 1.4237511929960533 Energy: 1.4297526032927392 Energy: 1.4312190678393284 Energy: 1.5079847358457348 Energy: 1.424406288318952 Energy: 1.6842580904161055 Energy: 1.507984735853737 Energy: 1.4244201375575876 Energy: 1.6842580904161055 Energy: 1.5079847358510698 Energy: 1.4244062883109496 Energy: 1.6842580904134379 Energy: 1.5079847358484024 Energy: 1.6087354631938464 Energy: 1.4479816780945973 Energy: 1.473869190043637 Energy: 1.6087354631938464 Energy: 1.4479816780972647 Energy: 1.4738691900409695 Energy: 1.6087354631938464 Energy: 1.4479816781025996 Energy: 1.4738691900463046 Energy: 1.6087354631991815 Energy: 1.5732157673814962 Energy: 1.5567208790554516 Energy: 1.5253688317903094 Energy: 1.5732157673841634 Energy: 1.5567208790554516 Energy: 1.5253642816951636 Energy: 1.5732157673894984 Energy: 1.5567208790607867 Energy: 1.5253688317929768 Energy: 1.573215767386831 Energy: 1.4358241644986065 Energy: 1.433943386185874 Energy: 1.4550710798614974 Energy: 1.435824164506609 Energy: 1.4339433861832063 Energy: 1.4550710798561624 Energy: 1.4358241645039413 Energy: 1.4339433861805388 Energy: 1.4550710798588298 Energy: 1.4358241644986065 Energy: 1.5715863990848686 Energy: 1.4513614319093955 Energy: 1.4513189136774522 Energy: 1.5715863990822012 Energy: 1.4513614319147305 Energy: 1.4513189136774522 Energy: 1.5715863990848686 Energy: 1.4513614319200656 Energy: 1.4513189136774522 Energy: 1.5715863990822012 Energy: 1.4358397787409203 Energy: 1.481231853937137 Energy: 1.501274452787722 Energy: 1.4358397787462553 Energy: 1.4812318539291345 Energy: 1.501274452787722 Energy: 1.4358397787409203 Energy: 1.481231853937137 Energy: 1.5012744527903894 Energy: 1.4358397787382529 Energy: 1.5540130441484032 Energy: 1.5250639800683035 Energy: 1.573761311251674 Energy: 1.5540130441404008 Energy: 1.5250639800683035 Energy: 1.5737613112463391 Energy: 1.5540130441377331 Energy: 1.5250639800683035 Energy: 1.5737613112490065 Energy: 1.5540130441457356 Energy: 1.6173973277905391 Energy: 1.4540308232603387 Energy: 1.4383026320969687 Energy: 1.6173973277905391 Energy: 1.4540308232682928 Energy: 1.4383107067310044 Energy: 1.6173973277932066 Energy: 1.4540308232630061 Energy: 1.4383026320996364 Energy: 1.6173973277878715 Energy: 1.514517759182533 Energy: 1.5332569003403969 Energy: 1.4246571852398155 Energy: 1.5145177591798655 Energy: 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1.501274452787722 Energy: 1.4358397787409203 Energy: 1.481231853937137 Energy: 1.5012744527903894 Energy: 1.4358397787382529 Energy: 1.5540130441457356 Energy: 1.5250639800683035 Energy: 1.573761311251674 Energy: 1.5540130441377331 Energy: 1.5250639800683035 Energy: 1.5737613112463391 Energy: 1.5540130441404008 Energy: 1.525063980065636 Energy: 1.5737613112463391 Energy: 1.5540130441457356 Energy: 1.6173973277878715 Energy: 1.4540308232630061 Energy: 1.438362722297078 Energy: 1.6173973277905391 Energy: 1.4540308232682928 Energy: 1.4383539632611742 Energy: 1.617397327795874 Energy: 1.4540308232576713 Energy: 1.4383627222944106 Energy: 1.6173973277878715 Energy: 1.514517759182533 Energy: 1.5332569003377294 Energy: 1.4246571852344805 Energy: 1.514517759182533 Energy: 1.5332569003377294 Energy: 1.424657185231813 Energy: 1.5145177591798655 Energy: 1.5332569003430643 Energy: 1.4246571852344805 Energy: 1.5145177591798655 Energy: 1.4271498579403303 Energy: 1.4256164152024646 Energy: 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1.521330690814297 Energy: 1.4312190678393284 Energy: 1.4237511929933861 Energy: 1.4297526032874042 Energy: 1.4312190678393284 Energy: 1.423804787493499 Energy: 1.4297526032954067 Energy: 1.4312190678419958 Energy: 1.4237511929933861 Energy: 1.4297526032900718 Energy: 1.4312190678393284 Energy: 1.5079847358484024 Energy: 1.424406288318952 Energy: 1.6842580904161055 Energy: 1.5079847358564047 Energy: 1.424420137560255 Energy: 1.684258090418773 Energy: 1.5079847358564047 Energy: 1.4244062883109496 Energy: 1.6842580904134379 Energy: 1.5079847358510698 Energy: 1.6087354631938464 Energy: 1.4479816780945973 Energy: 1.4738691900463046 Energy: 1.608735463196514 Energy: 1.4479816780972647 Energy: 1.4738691900463046 Energy: 1.6087354631938464 Energy: 1.447981678105267 Energy: 1.4738691900463046 Energy: 1.6087354631938464 Energy: 1.5732157673814962 Energy: 1.5567208790527842 Energy: 1.5253688317903094 Energy: 1.5732157673841634 Energy: 1.5567208790501168 Energy: 1.5253642816924962 Energy: 1.5732157673894984 Energy: 1.5567208790581193 Energy: 1.525368831795644 Energy: 1.5732157673841634 Energy: 1.4358241644986065 Energy: 1.4339433861832063 Energy: 1.4550710798614974 Energy: 1.4358241645039413 Energy: 1.4339433861832063 Energy: 1.4550710798588298 Energy: 1.435824164501274 Energy: 1.4339433861832063 Energy: 1.4550710798588298 Energy: 1.4358241644986065 Energy: 1.5715863990875363 Energy: 1.4513614319093955 Energy: 1.4513189136747846 Energy: 1.5715863990822012 Energy: 1.4513614319200656 Energy: 1.4513189136747846 Energy: 1.5715863990902037 Energy: 1.4513614319200656 Energy: 1.4513189136721172 Energy: 1.5715863990875363 Energy: 1.4358397787409203 Energy: 1.481231853937137 Energy: 1.501274452787722 Energy: 1.435839778743588 Energy: 1.4812318539318021 Energy: 1.5012744527903894 Energy: 1.4358397787409203 Energy: 1.4812318539398046 Energy: 1.5012744527903894 Energy: 1.4358397787409203 Energy: 1.5540130441510707 Energy: 1.525063980065636 Energy: 1.5737613112543416 Energy: 1.5540130441404008 Energy: 1.5250639800683035 Energy: 1.5737613112436715 Energy: 1.5540130441404008 Energy: 1.525063980065636 Energy: 1.5737613112490065 Energy: 1.5540130441510707 Energy: 1.6173973277905391 Energy: 1.4540308232603387 Energy: 1.4383026321023038 Energy: 1.6173973277932066 Energy: 1.4540308232656252 Energy: 1.4383107067336718 Energy: 1.617397327795874 Energy: 1.4540308232656252 Energy: 1.4383026320996364 Energy: 1.6173973277878715 Energy: 1.514517759182533 Energy: 1.5332569003350618 Energy: 1.424657185237148 Energy: 1.5145177591798655 Energy: 1.5332569003377294 Energy: 1.424657185231813 Energy: 1.5145177591771979 Energy: 1.5332569003403969 Energy: 1.4246571852291454 Energy: 1.5145177591771979 minimum gb energy = 1.4236727147965988 eV minimum distance = 2.23192493131069 Angstroms sigma value = 293 ======================================== theta = 101.5369590328155 ======================================== Energy: 1.4339648408615708 Energy: 1.4350143968543998 Energy: 1.4350252656956064 Energy: 1.433964840862535 Energy: 1.435014396855846 Energy: 1.4350252656927136 Energy: 1.4339648408615708 Energy: 1.4350143968543998 Energy: 1.4350252656956064 Energy: 1.433964840862053 Energy: 1.4320281436072342 Energy: 1.4341109360222861 Energy: 1.4347743835103295 Energy: 1.4320281436062698 Energy: 1.4341109360237325 Energy: 1.4347743835108115 Energy: 1.4320281436072342 Energy: 1.4341109360222861 Energy: 1.4347743835103295 Energy: 1.4320281436067521 Energy: 1.4323752881130452 Energy: 1.4325689058304154 Energy: 1.384813944874864 Energy: 1.4323752881130452 Energy: 1.4325689058299333 Energy: 1.3848139448960772 Energy: 1.4323752881130452 Energy: 1.4325689058304154 Energy: 1.3848139448772747 Energy: 1.4323752881130452 Energy: 1.3847107770751224 Energy: 1.4325738912167887 Energy: 1.4323651361827188 Energy: 1.384710777518451 Energy: 1.4325738912158243 Energy: 1.4323651361817544 Energy: 1.3847107774799257 Energy: 1.4325738912167887 Energy: 1.4323651361827188 Energy: 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1.4339648408615708 Energy: 1.4350143968543998 Energy: 1.4350252656956064 Energy: 1.433964840862053 Energy: 1.435014396856328 Energy: 1.4350252656931957 Energy: 1.4339648408615708 Energy: 1.4350143968539175 Energy: 1.4350252656956064 Energy: 1.433964840862535 Energy: 1.4320281436067521 Energy: 1.4341109360222861 Energy: 1.4347743835103295 Energy: 1.4320281436062698 Energy: 1.4341109360237325 Energy: 1.4347743835108115 Energy: 1.4320281436072342 Energy: 1.4341109360218038 Energy: 1.4347743835098477 Energy: 1.4320281436062698 Energy: 1.4323752881135274 Energy: 1.4325689058308975 Energy: 1.3848139448777568 Energy: 1.4323752881130452 Energy: 1.432568905829451 Energy: 1.3848139448782388 Energy: 1.4323752881130452 Energy: 1.4325689058304154 Energy: 1.3848139448652657 Energy: 1.4323752881130452 Energy: 1.3847107774712475 Energy: 1.4325738912163066 Energy: 1.4323651361827188 Energy: 1.3847107774673906 Energy: 1.4325738912153423 Energy: 1.4323651361812724 Energy: 1.3847107772640248 Energy: 1.4325738912167887 Energy: 1.4323651361822367 Energy: 1.384710777113166 Energy: 1.4347807276109654 Energy: 1.434109644640505 Energy: 1.4320335122536025 Energy: 1.4347807276119298 Energy: 1.4341096446400228 Energy: 1.4320335122540846 Energy: 1.4347807276109654 Energy: 1.434109644640505 Energy: 1.4320335122536025 Energy: 1.4347807276119298 Energy: 1.435014396856328 Energy: 1.4350252656927136 Energy: 1.433964840862535 Energy: 1.4350143968543998 Energy: 1.4350252656956064 Energy: 1.433964840862535 Energy: 1.435014396855846 Energy: 1.4350252656927136 Energy: 1.4339648408615708 Energy: 1.4350143968543998 Energy: 1.4341109360232502 Energy: 1.4347743835103295 Energy: 1.4320281436072342 Energy: 1.4341109360222861 Energy: 1.4347743835103295 Energy: 1.4320281436062698 Energy: 1.4341109360232502 Energy: 1.4347743835108115 Energy: 1.4320281436067521 Energy: 1.4341109360218038 minimum gb energy = 1.3847107770751224 eV minimum distance = 2.26277630145833 Angstroms sigma value = 15 ======================================== theta = 110.02717248395858 ======================================== Energy: 1.448101551293395 Energy: 1.4646532333631472 Energy: 1.483570229794063 Energy: 1.4078475843528278 Energy: 1.4646532333675182 Energy: 1.4835702297896924 Energy: 1.4481015512846533 Energy: 1.4646532333653328 Energy: 1.4835702297896924 Energy: 1.4078475843528278 Energy: 1.4203095370253433 Energy: 1.4210763082982416 Energy: 1.5118121281149186 Energy: 1.420309536977264 Energy: 1.4210763083026123 Energy: 1.5118121281149186 Energy: 1.4203095371170917 Energy: 1.421076308300427 Energy: 1.5118121281149186 Energy: 1.4203095370450123 Energy: 1.5181276051474135 Energy: 1.4307171610811917 Energy: 1.6061852439141344 Energy: 1.5181276051452284 Energy: 1.4307171610790062 Energy: 1.60618524391632 Energy: 1.5181276051517845 Energy: 1.4307171610855227 Energy: 1.6061852439185054 Energy: 1.51812760515397 Energy: 1.3930142986700833 Energy: 1.4305800043971286 Energy: 1.3894400958064979 Energy: 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1.4288054807587809 Energy: 1.5683429427742253 Energy: 1.4516499546801238 Energy: 1.4288054807587809 Energy: 1.5683429427698543 Energy: 1.4516499546779382 Energy: 1.4288054807565957 Energy: 1.543309894767037 Energy: 1.4297624526095785 Energy: 1.4302764607452614 Energy: 1.5433098947583348 Energy: 1.409915255440438 Energy: 1.4104583657205072 Energy: 1.5433098947517785 Energy: 1.4297624526030221 Energy: 1.4302764607408904 Energy: 1.5433098947648909 Energy: 1.6364667291271517 Energy: 1.3794435952023165 Energy: 1.5041741648320632 Energy: 1.6364667291293375 Energy: 1.379443595193575 Energy: 1.5041741648342488 Energy: 1.6364667291249664 Energy: 1.3794435952001312 Energy: 1.5041741648342488 Energy: 1.6364667291205954 Energy: 1.4394556907511205 Energy: 1.652480510060794 Energy: 1.4389666433333093 Energy: 1.4394556907576372 Energy: 1.6524805100629798 Energy: 1.4389666433333093 Energy: 1.439455690748935 Energy: 1.6524805100629798 Energy: 1.4389666433376802 Energy: 1.4394556907511205 Energy: 1.5187731367891002 Energy: 1.3876660314297427 Energy: 1.6418385268042275 Energy: 1.5187731367978419 Energy: 1.387792586732677 Energy: 1.6418385268020421 Energy: 1.5187731367934711 Energy: 1.3876660314362992 Energy: 1.6418385268020421 Energy: 1.5187731367956565 Energy: 1.4094819978506192 Energy: 1.4048762644483068 Energy: 1.5434701751743356 Energy: 1.4094819978615465 Energy: 1.4048762644461215 Energy: 1.5434701751765207 Energy: 1.4094819978571755 Energy: 1.4048762644504924 Energy: 1.5434701751743356 Energy: 1.4094819978506192 Energy: 1.4057977419893035 Energy: 1.4736872356981683 Energy: 1.40923410743995 Energy: 1.405797741565529 Energy: 1.4736872356959831 Energy: 1.4092324220161285 Energy: 1.4057977418975554 Energy: 1.4736872356850559 Energy: 1.4092341074377646 Energy: 1.4057977416354228 Energy: 1.3789754548540707 Energy: 1.4790545250231182 Energy: 1.6074814268548876 Energy: 1.3789754548540707 Energy: 1.4790545250209326 Energy: 1.607481426852742 Energy: 1.3789754548540707 Energy: 1.4790545250187472 Energy: 1.6074814268548876 Energy: 1.3789754548562563 Energy: 1.4068577307528871 Energy: 1.53408650572865 Energy: 1.5805011632961035 Energy: 1.4068577307485162 Energy: 1.53408650572865 Energy: 1.5805011632917325 Energy: 1.40685773074196 Energy: 1.534086505733021 Energy: 1.580501163285216 Energy: 1.4068577307528871 minimum gb energy = 1.3778583867360443 eV minimum distance = 2.19541913900245 Angstroms sigma value = 437 ======================================== theta = 117.03569178941231 ======================================== Energy: 1.3667895405600154 Energy: 1.366239324462192 Energy: 1.3662483341861467 Energy: 1.3667895405592194 Energy: 1.3662393244613957 Energy: 1.3662483341845542 Energy: 1.3667895405600154 Energy: 1.366239324462192 Energy: 1.3662483341853506 Energy: 1.3667895405600154 Energy: 1.4785734737652458 Energy: 1.3289267858177884 Energy: 1.507804588403716 Energy: 1.4785734737644498 Energy: 1.3289267858169922 Energy: 1.5078045884069005 Energy: 1.4785734737652458 Energy: 1.3289267858169922 Energy: 1.5078045884029194 Energy: 1.4785734737652458 Energy: 1.4640191524573987 Energy: 1.31440978468444 Energy: 1.6224273830538438 Energy: 1.464019152458195 Energy: 1.31440978468444 Energy: 1.6224273830562321 Energy: 1.464019152458195 Energy: 1.31440978468444 Energy: 1.6224273830562321 Energy: 1.464019152458991 Energy: 1.467845368590861 Energy: 1.5633102376315569 Energy: 1.4486575672606161 Energy: 1.4678453685916573 Energy: 1.5633102376331494 Energy: 1.4486575672630047 Energy: 1.467845368590065 Energy: 1.5633102376315569 Energy: 1.4486575672614121 Energy: 1.4678453685916573 Energy: 1.5383738429480451 Energy: 1.3512953289016811 Energy: 1.5667125443036678 Energy: 1.5383738429496374 Energy: 1.3512953289000889 Energy: 1.5667125443052599 Energy: 1.5383738429480451 Energy: 1.3512953289016811 Energy: 1.5667125443028715 Energy: 1.5383738429496374 Energy: 1.4161882787876965 Energy: 1.5062862370915415 Energy: 1.3295141898414584 Energy: 1.4161882787884925 Energy: 1.5062862370923378 Energy: 1.329514189843847 Energy: 1.4161882787876965 Energy: 1.5062862370915415 Energy: 1.3295141898422547 Energy: 1.4161882787884925 Energy: 1.5248868449051793 Energy: 1.4432170131844955 Energy: 1.3142149504056464 Energy: 1.5248868449035868 Energy: 1.3790184589001013 Energy: 1.314214950408035 Energy: 1.5248868449051793 Energy: 1.3790184588985088 Energy: 1.3142149504064424 Energy: 1.5248868449035868 Energy: 1.4450586796528948 Energy: 1.5240979299494026 Energy: 1.4407501083876848 Energy: 1.4450586796560794 Energy: 1.5240979299541797 Energy: 1.4407501083892773 Energy: 1.4450586796528948 Energy: 1.5240979299494026 Energy: 1.4407501083876848 Energy: 1.4450586796560794 Energy: 1.7051347953691114 Energy: 1.5056708911654093 Energy: 1.3523142675657371 Energy: 1.7051347953683154 Energy: 1.5056708911654093 Energy: 1.3523142675665334 Energy: 1.7051347953683154 Energy: 1.5056708911654093 Energy: 1.3523142675665334 Energy: 1.7051347953683154 Energy: 1.4486444389260926 Energy: 1.4989909566682866 Energy: 1.466174553476324 Energy: 1.4486444389268889 Energy: 1.4989909566706752 Energy: 1.4661745534699544 Energy: 1.4486444389260926 Energy: 1.4989909566674906 Energy: 1.4661745534771202 Energy: 1.4486444389268889 Energy: 1.426287966115487 Energy: 1.3931500631961373 Energy: 1.542948076920799 Energy: 1.4262879661130987 Energy: 1.3278276029696106 Energy: 1.5429480769184103 Energy: 1.426287966115487 Energy: 1.3278276029688145 Energy: 1.5429480769200028 Energy: 1.4262879661130987 Energy: 1.4989802670577683 Energy: 1.330639969626665 Energy: 1.484484441202548 Energy: 1.4989802670545835 Energy: 1.3306399696234803 Energy: 1.484484441202548 Energy: 1.4989802670577683 Energy: 1.330639969626665 Energy: 1.4844844412041405 Energy: 1.4989802670545835 Energy: 1.3324583886952683 Energy: 1.597274849232936 Energy: 1.3320680238059532 Energy: 1.3324583886968606 Energy: 1.5972748492345286 Energy: 1.3320680238075457 Energy: 1.3324583886944723 Energy: 1.5972748492337323 Energy: 1.3320680238051574 Energy: 1.3324583886968606 Energy: 1.3527163920716145 Energy: 1.36950819340466 Energy: 1.441481942895751 Energy: 1.3527163920724106 Energy: 1.3695081934030677 Energy: 1.441481942894955 Energy: 1.3527163920716145 Energy: 1.36950819340466 Energy: 1.4414819428933627 Energy: 1.3527163920724106 minimum gb energy = 1.3142149504056464 eV minimum distance = 2.19123204337333 Angstroms sigma value = 33