Model name: model_name=EAM_Dynamo_PunYamakovMishin_2015_NiCo__MO_010613863288_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=4.450349963542659 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: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.020537199096678213 Energy: 0.5084414311541608 Energy: 0.5084414311541608 Energy: 0.020537199096678213 Energy: 0.5084414311556855 Energy: 0.5084414311541608 Energy: 0.020537199096678213 Energy: 0.5084414311541608 Energy: 0.5084414311556855 Energy: 0.020537199096678213 Energy: 0.5055026810266231 Energy: 0.024551724844483237 Energy: 0.5062734911666756 Energy: 0.5055026810266231 Energy: 0.024551724846007827 Energy: 0.5062734911666756 Energy: 0.5055026810266231 Energy: 0.024551724844483237 Energy: 0.5062734911666756 Energy: 0.5055026810266231 Energy: 1.822122343291989 Energy: 0.9391641979304077 Energy: 0.6996031187319756 Energy: 1.8221223429826365 Energy: 0.9391641979304077 Energy: 0.8142481278252323 Energy: 1.2098545893274446 Energy: 0.6996031187335002 Energy: 0.9391641979288831 Energy: 1.2098545745257019 Energy: 0.5055026810250985 Energy: 0.5062734911682002 Energy: 0.024551724844483237 Energy: 0.5055026810266231 Energy: 0.5062734911682002 Energy: 0.024551724844483237 Energy: 0.5055026810266231 Energy: 0.5062734911682002 Energy: 0.024551724844483237 Energy: 0.5055026810266231 Energy: 0.020537199096678213 Energy: 0.5084414311556855 Energy: 0.5084414311572101 Energy: 0.020537199096678213 Energy: 0.5084414311572101 Energy: 0.5084414311556855 Energy: 0.020537199096678213 Energy: 0.5084414311556855 Energy: 0.5084414311572101 Energy: 0.020537199096678213 Energy: 0.5055026810250985 Energy: 0.024551724844483237 Energy: 0.5062734911682002 Energy: 0.5055026810266231 Energy: 0.024551724846007827 Energy: 0.5062734911682002 Energy: 0.5055026810250985 Energy: 0.024551724844483237 Energy: 0.5062734911682002 Energy: 0.5055026810266231 Energy: 1.2098546201424578 Energy: 0.2933842326668472 Energy: 0.021000979684049778 Energy: 1.2098545647284895 Energy: 0.2933842326683718 Energy: 0.021000979684049778 Energy: 1.2098546022517607 Energy: 0.2933842326683718 Energy: 0.47327583483931696 Energy: 1.209854554503041 minimum gb energy = 0.020537199096678213 eV minimum distance = 2.21018332401704 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 1.2219549939155328 Energy: 1.5142117488371147 Energy: 1.5186087333110325 Energy: 1.109736172161013 Energy: 1.5142117488371147 Energy: 1.5186087333147669 Energy: 1.2219549939230017 Energy: 1.5142117488296458 Energy: 1.5186087333035634 Energy: 1.109736172161013 Energy: 1.2431361979050861 Energy: 1.162067702743598 Energy: 1.461468907170285 Energy: 1.2431361979050861 Energy: 1.1620677027398634 Energy: 1.4614689071665505 Energy: 1.2431361979013515 Energy: 1.1620677027398634 Energy: 1.4614689071740194 Energy: 1.2431361979125548 Energy: 1.386655125518153 Energy: 1.532572423719343 Energy: 1.43416161005482 Energy: 1.2967753358683687 Energy: 1.5325724237342808 Energy: 1.4341616100510857 Energy: 1.3866551255218873 Energy: 1.5325724237305463 Energy: 1.4341616100510857 Energy: 1.2967753358646343 Energy: 1.4496591338686162 Energy: 1.5271710903250901 Energy: 1.1103493544602625 Energy: 1.4496591338648817 Energy: 1.5271710903176892 Energy: 1.1103493544602625 Energy: 1.4496591338574127 Energy: 1.5271710903102205 Energy: 1.110349354463997 Energy: 1.4496591338648817 Energy: 1.050548446911535 Energy: 1.4027798555720095 Energy: 1.4113381373965996 Energy: 1.0505484469040658 Energy: 1.402695969188082 Energy: 1.4113302445774274 Energy: 1.0505484469040658 Energy: 1.4027798555645403 Energy: 1.4113381374003342 Energy: 1.0505484469078004 Energy: 1.5191930252828745 Energy: 1.1158002712344297 Energy: 1.4328121391218314 Energy: 1.5191930252828745 Energy: 1.1158002712306954 Energy: 1.4328121391143622 Energy: 1.5191930252940777 Energy: 1.1158002712306954 Energy: 1.4328121391180968 Energy: 1.5191930252866088 Energy: 1.5296162419457429 Energy: 1.1099249988434565 Energy: 1.6222440564915612 Energy: 1.5296162419494772 Energy: 1.1099249988509254 Energy: 1.6222440564915612 Energy: 1.5296162419420085 Energy: 1.1099249988359876 Energy: 1.6222440564878269 Energy: 1.5296162419457429 Energy: 1.400721917670695 Energy: 1.4004908542168113 Energy: 1.1562071500435913 Energy: 1.400721917670695 Energy: 1.4004908542130767 Energy: 1.1562288080268521 Energy: 1.400721917670695 Energy: 1.4004908542056078 Energy: 1.1562071500510605 Energy: 1.4007219176744294 Energy: 1.1892939233503839 Energy: 1.6049765055000873 Energy: 1.4507388058442454 Energy: 1.1103408084337378 Energy: 1.6049765054926184 Energy: 1.4507388058442454 Energy: 1.189293923369056 Energy: 1.6049765055038219 Energy: 1.4507388058405108 Energy: 1.1103408084337378 Energy: 1.295388136833963 Energy: 1.5812838905921136 Energy: 1.2841219907751658 Energy: 1.3709173947011797 Energy: 1.581283890595848 Energy: 1.2617479698046454 Energy: 1.2953881368302285 Energy: 1.5812838905921136 Energy: 1.2841219907714312 Energy: 1.3709173947011797 Energy: 1.4627158746633322 Energy: 1.1622360971130903 Energy: 1.446535373741154 Energy: 1.4627158746633322 Energy: 1.1622360971168249 Energy: 1.4465353737374196 Energy: 1.4627158746596656 Energy: 1.1622360971168249 Energy: 1.4465353737374196 Energy: 1.4627158746596656 Energy: 1.5147186151235883 Energy: 1.4478991939808252 Energy: 1.1102268478408068 Energy: 1.5147186151198537 Energy: 1.4478991939845598 Energy: 1.1102268478445414 Energy: 1.5147186151198537 Energy: 1.4478991939845598 Energy: 1.1102268478482757 Energy: 1.5147186151198537 Energy: 1.2384895711487989 Energy: 1.5672107356375944 Energy: 1.2776982647624342 Energy: 1.2384895711487989 Energy: 1.5671860185120043 Energy: 1.2776982647661688 Energy: 1.2384895711487989 Energy: 1.5672107356375944 Energy: 1.2776982647586996 Energy: 1.2384895711487989 Energy: 1.2524252672919258 Energy: 1.3325594887576366 Energy: 1.5851055528484133 Energy: 1.252425267284457 Energy: 1.326763909470057 Energy: 1.5851055528558822 Energy: 1.2524252672881913 Energy: 1.3325594887651053 Energy: 1.585105552844679 Energy: 1.2524252672881913 Energy: 1.508557867592811 Energy: 1.1100551910852277 Energy: 1.463117030828052 Energy: 1.508557867592811 Energy: 1.1100551910852277 Energy: 1.463117030831786 Energy: 1.5085578676002798 Energy: 1.1100551910889622 Energy: 1.4631170308392552 Energy: 1.5085578675965454 Energy: 1.4097589030976398 Energy: 1.4378376888888622 Energy: 1.1616000910045032 Energy: 1.4097589031013742 Energy: 1.4378376888851279 Energy: 1.161639526940134 Energy: 1.409758903108843 Energy: 1.4378376888851279 Energy: 1.1616000910007687 Energy: 1.4097589031013742 Energy: 1.2621844805429359 Energy: 1.4811651693454937 Energy: 1.5023846146711712 Energy: 1.2621844805392013 Energy: 1.4811651693566974 Energy: 1.5023846146823747 Energy: 1.2621844805429359 Energy: 1.4811651693529628 Energy: 1.502384614686109 Energy: 1.2621844805429359 Energy: 1.2281837834412466 Energy: 1.4486780592069657 Energy: 1.5851728022323486 Energy: 1.1104492127569578 Energy: 1.4486780592032311 Energy: 1.5851728022323486 Energy: 1.2281837834337777 Energy: 1.4486780591957626 Energy: 1.585172802228614 Energy: 1.1104492127606924 Energy: 1.3919453520509029 Energy: 1.1562041057877162 Energy: 1.3922069520591007 Energy: 1.391945352058372 Energy: 1.1562041057877162 Energy: 1.3922069520516318 Energy: 1.391945352065841 Energy: 1.1562041057877162 Energy: 1.3922069520553664 Energy: 1.391945352058372 Energy: 1.5831973057071222 Energy: 1.4467511471261665 Energy: 1.1098077875518833 Energy: 1.5831973057033877 Energy: 1.4467511471261665 Energy: 1.1098077875556178 Energy: 1.583197305714591 Energy: 1.4467511471261665 Energy: 1.1098077875556178 Energy: 1.5831973057071222 Energy: 1.5203273702706301 Energy: 1.4162441145516966 Energy: 1.1152822970037577 Energy: 1.5203273702743647 Energy: 1.1515213246579474 Energy: 1.1152822970000231 Energy: 1.5203273702893025 Energy: 1.4162441145479623 Energy: 1.1152822970000231 Energy: 1.5203273702818334 Energy: 1.0507396512080744 Energy: 1.4116084946633007 Energy: 1.4043965961716725 Energy: 1.0507396512006055 Energy: 1.4114856954740314 Energy: 1.4042010519251786 Energy: 1.0507396512080744 Energy: 1.4116084946782386 Energy: 1.404396596167938 Energy: 1.0507396512118088 Energy: 1.460668749668194 Energy: 1.110311218552454 Energy: 1.4587382013795518 Energy: 1.460668749668194 Energy: 1.1103112185561885 Energy: 1.4587382013758174 Energy: 1.460668749668194 Energy: 1.1103112185673918 Energy: 1.4587382013795518 Energy: 1.4606687496644597 Energy: 1.3743755663182178 Energy: 1.5188990427467177 Energy: 1.2530111325815232 Energy: 1.3743755663219521 Energy: 1.5188990427504523 Energy: 1.2530111325815232 Energy: 1.37437556630328 Energy: 1.5188990427467177 Energy: 1.2530111325777888 Energy: 1.3743755663107489 Energy: 1.2574368140298509 Energy: 1.4692316434105361 Energy: 1.162580442629224 Energy: 1.2574368140335854 Energy: 1.4692316434105361 Energy: 1.1625595748845619 Energy: 1.2574368140373198 Energy: 1.4692316434142707 Energy: 1.1625804426142865 Energy: 1.2574368140335854 Energy: 1.1854646956104071 Energy: 1.5142117488259113 Energy: 1.518608733307298 Energy: 1.109736172161013 Energy: 1.5142117488296458 Energy: 1.5186087333110325 Energy: 1.1854646956178758 Energy: 1.5142117488296458 Energy: 1.518608733307298 Energy: 1.109736172161013 Energy: 1.2431361979013515 Energy: 1.1620677027398634 Energy: 1.4614689071740194 Energy: 1.2431361979013515 Energy: 1.1620677027323945 Energy: 1.4614689071740194 Energy: 1.2431361979050861 Energy: 1.1620677027398634 Energy: 1.4614689071740194 Energy: 1.2431361979125548 Energy: 1.3998193412056876 Energy: 1.5325724237230773 Energy: 1.434161610047351 Energy: 1.3875442880365965 Energy: 1.5325724237342808 Energy: 1.4341616100510857 Energy: 1.3998193412168907 Energy: 1.5325724237380152 Energy: 1.4341616100510857 Energy: 1.3875442880365965 Energy: 1.4496591338686162 Energy: 1.5271710903250901 Energy: 1.110349354463997 Energy: 1.4496591338611473 Energy: 1.5271710903139546 Energy: 1.110349354463997 Energy: 1.4496591338574127 Energy: 1.5271710903139546 Energy: 1.1103493544677314 Energy: 1.4496591338686162 minimum gb energy = 1.0505484469040658 eV minimum distance = 2.2849760871263 Angstroms sigma value = 75 ======================================== theta = 34.04773236999154 ======================================== Energy: 1.450330798221649 Energy: 1.2092425324950695 Energy: 1.2093328303094006 Energy: 1.3629574815484065 Energy: 1.2092425324932474 Energy: 1.2093328303112232 Energy: 1.4503307982161822 Energy: 1.2092425325005363 Energy: 1.2093328303148676 Energy: 1.3629574815484065 Energy: 1.3694337463686719 Energy: 1.3731777938726955 Energy: 1.5187900079574057 Energy: 1.369433746361383 Energy: 1.3731777938690508 Energy: 1.5187900079537613 Energy: 1.369433746361383 Energy: 1.3731777938708734 Energy: 1.5187900079537613 Energy: 1.369433746361383 Energy: 1.3707987496634166 Energy: 1.404242747822955 Energy: 1.2113215575749012 Energy: 1.3630425232575716 Energy: 1.4042427478247776 Energy: 1.2113215575712568 Energy: 1.3707987496579501 Energy: 1.4042427478193107 Energy: 1.2113215575712568 Energy: 1.3630425232466712 Energy: 1.3317171346509626 Energy: 1.3325066717046707 Energy: 1.2133833967499656 Energy: 1.378159710743741 Energy: 1.3788876454860248 Energy: 1.2133833967517877 Energy: 1.331717134654607 Energy: 1.3325066717010265 Energy: 1.2133833967499656 Energy: 1.3781597107491748 Energy: 1.3705659986697507 Energy: 1.5708835517206807 Energy: 1.3452266809062028 Energy: 1.3636156322142117 Energy: 1.5708835517279693 Energy: 1.3452266809098472 Energy: 1.3705659986679284 Energy: 1.5708835517334363 Energy: 1.3452266809134916 Energy: 1.3636156322160338 Energy: 1.2084593482753754 Energy: 1.3839472499790306 Energy: 1.434195594757319 Energy: 1.2084593482753754 Energy: 1.3839472499826753 Energy: 1.434195594757319 Energy: 1.2084593482826642 Energy: 1.3839472499863197 Energy: 1.4341955947554967 Energy: 1.2084593482790198 Energy: 1.2088710841190236 Energy: 1.3657031775195254 Energy: 1.2090529309137725 Energy: 1.2088710841190236 Energy: 1.380549736331323 Energy: 1.209052930908306 Energy: 1.2088710841153791 Energy: 1.3657031775213477 Energy: 1.2090529309119504 Energy: 1.2088710841190236 Energy: 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1.4590921488824191 Energy: 1.4046145470400597 Energy: 1.3859069779341793 Energy: 1.4590921488762516 Energy: 1.4046145470318365 Energy: 1.3859069779362352 Energy: 1.3306387757215161 Energy: 1.469407824778788 Energy: 1.4620700154383133 Energy: 1.3306387757256275 Energy: 1.469407824778788 Energy: 1.4620700154403692 Energy: 1.330638775729739 Energy: 1.469407824778788 Energy: 1.4620700154383133 Energy: 1.3306387757256275 Energy: 1.4078533123394512 Energy: 1.382130523533826 Energy: 1.403225277555075 Energy: 1.4078533123456187 Energy: 1.3821541742978982 Energy: 1.403225277555075 Energy: 1.4078533123456187 Energy: 1.3821305235276589 Energy: 1.4032252775489078 Energy: 1.4078533123415071 Energy: 1.4357683980467277 Energy: 1.3818498745983736 Energy: 1.5351606363776984 Energy: 1.435768398044672 Energy: 1.381867627810499 Energy: 1.5351606363756425 Energy: 1.4357683980487834 Energy: 1.3818498746004295 Energy: 1.535160636379754 Energy: 1.4357683980508391 Energy: 1.433534720391541 Energy: 1.4136747139841401 Energy: 1.3518867718717353 Energy: 1.433534720391541 Energy: 1.4136747139841401 Energy: 1.3518867718758467 Energy: 1.4335347203833178 Energy: 1.4136747139861958 Energy: 1.3518867718758467 Energy: 1.4335347203853737 Energy: 1.3991248231877242 Energy: 1.4479697772905293 Energy: 1.378046347415526 Energy: 1.3991248231897802 Energy: 1.4458708443157022 Energy: 1.378046347415526 Energy: 1.3991248231856688 Energy: 1.447969777284362 Energy: 1.3780463474196376 Energy: 1.3991248231836129 Energy: 1.385751123178802 Energy: 1.3888070146938534 Energy: 1.4687593150043468 Energy: 1.385751123178802 Energy: 1.3884402015734452 Energy: 1.4687593150023281 Energy: 1.385751123178802 Energy: 1.3888070146856304 Energy: 1.4687593150023281 Energy: 1.3857511231849695 Energy: 1.466339020440057 Energy: 1.3259879424236751 Energy: 1.457956544203644 Energy: 1.4663390204421127 Energy: 1.325983116097674 Energy: 1.4579565441995326 Energy: 1.4663390204421127 Energy: 1.3259879424175078 Energy: 1.4579565441995326 Energy: 1.4663390204421127 minimum gb energy = 1.3148111265598448 eV minimum distance = 2.16470789846847 Angstroms sigma value = 165 ======================================== theta = 44.41530859719298 ======================================== Energy: 1.276987958224541 Energy: 1.3813974427468427 Energy: 1.3813820625013453 Energy: 1.276987958225952 Energy: 1.3813974427510771 Energy: 1.3813820625034627 Energy: 1.276987958224541 Energy: 1.38139744274896 Energy: 1.3813820625027566 Energy: 1.276987958226658 Energy: 1.2901447638611865 Energy: 1.2737506630885969 Energy: 1.3336308706277253 Energy: 1.290144763865421 Energy: 1.2737506630914197 Energy: 1.3336015349418744 Energy: 1.2901447638633037 Energy: 1.2737506630900082 Energy: 1.3336373391004817 Energy: 1.2901447638633037 Energy: 1.311345986227401 Energy: 1.2964388508660396 Energy: 1.2302528519686038 Energy: 1.3113459862288126 Energy: 1.2964388508145201 Energy: 1.2302528519742495 Energy: 1.311345986227401 Energy: 1.2964388513753324 Energy: 1.2302528519707208 Energy: 1.3113459862323416 Energy: 1.4820186637387547 Energy: 1.290724528742247 Energy: 1.2923934292441812 Energy: 1.4820186637394603 Energy: 1.2907245287478928 Energy: 1.292393429239947 Energy: 1.4820186637387547 Energy: 1.2907245287408353 Energy: 1.2923934292427697 Energy: 1.4820186637394603 Energy: 1.3026936171961276 Energy: 1.312617596972605 Energy: 1.3021493180438104 Energy: 1.3026936171869528 Energy: 1.3126175969733107 Energy: 1.302149318045222 Energy: 1.3026936171933046 Energy: 1.3126175969718992 Energy: 1.302149318045222 Energy: 1.3026936171918932 Energy: 1.3066931878997443 Energy: 1.5357298133186206 Energy: 1.4829244203712624 Energy: 1.3066931878983326 Energy: 1.5357298133157975 Energy: 1.482924420369851 Energy: 1.3066931878997443 Energy: 1.5357298133186206 Energy: 1.4829244203705567 Energy: 1.3066931878990384 Energy: 1.3825237589519814 Energy: 1.3205472458595076 Energy: 1.3372858082729508 Energy: 1.382523758952687 Energy: 1.3205472458595076 Energy: 1.3372868786144227 Energy: 1.3825237589512755 Energy: 1.3205472458602132 Energy: 1.337286462749842 Energy: 1.382523758952687 Energy: 1.3642258023586458 Energy: 1.2738594366567548 Energy: 1.2736005165980573 Energy: 1.3642258023565288 Energy: 1.2738594366546379 Energy: 1.2736005166008801 Energy: 1.3642258023586458 Energy: 1.2738594366525204 Energy: 1.273600516598763 Energy: 1.3642258023565288 Energy: 1.3825208875149841 Energy: 1.3373838981658206 Energy: 1.3207157433215555 Energy: 1.3825208875142785 Energy: 1.3373636295659939 Energy: 1.3207157433222614 Energy: 1.3825208875142785 Energy: 1.337393830659073 Energy: 1.3207157433215555 Energy: 1.3825208875142785 Energy: 1.3065872974350345 Energy: 1.4829586011486873 Energy: 1.5357410480033773 Energy: 1.3065872974343289 Energy: 1.4829586011479816 Energy: 1.5357410480033773 Energy: 1.3065872974336228 Energy: 1.4829586011493932 Energy: 1.5357410480054945 Energy: 1.3065872974336228 Energy: 1.3026960690219884 Energy: 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1.2738263020738523 Energy: 1.2902769572399033 Energy: 1.276987958224541 Energy: 1.3813974427496658 Energy: 1.3813820624992281 Energy: 1.276987958226658 Energy: 1.3813974427553117 Energy: 1.3813820625027566 Energy: 1.276987958223835 Energy: 1.3813974427510771 Energy: 1.3813820624971107 Energy: 1.2769879582273636 minimum gb energy = 1.2302528519686038 eV minimum distance = 2.27599122071998 Angstroms sigma value = 41 ======================================== theta = 52.20027756457278 ======================================== Energy: 1.3550384161264852 Energy: 1.2169626487611507 Energy: 1.2124069916968172 Energy: 1.3152982506955577 Energy: 1.2169626487638892 Energy: 1.2124069917105085 Energy: 1.355038416123747 Energy: 1.2169626487666272 Energy: 1.2124069917022937 Energy: 1.3152982506982958 Energy: 1.2083258029137118 Energy: 1.118530119459703 Energy: 1.208627563757493 Energy: 1.2083258029082353 Energy: 1.1185301194542263 Energy: 1.2086275637547548 Energy: 1.2083258029109736 Energy: 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1.270425682396253 Energy: 1.2276902201134992 Energy: 1.142550883372997 Energy: 1.270425682398991 Energy: 1.227690220110761 Energy: 1.1425508833702587 Energy: 1.135125602517326 Energy: 1.122457372950488 Energy: 1.2184279213607327 Energy: 1.135125602517326 Energy: 1.122457372950488 Energy: 1.218427921366209 Energy: 1.135125602525491 Energy: 1.1224573729477498 Energy: 1.2184279213634708 Energy: 1.1351256025200642 Energy: 1.2116735771504032 Energy: 1.1144695870291976 Energy: 1.2313921310408038 Energy: 1.211673577144927 Energy: 1.1144769773297687 Energy: 1.231392131029851 Energy: 1.211673577144927 Energy: 1.1144695870291976 Energy: 1.2313921310353273 Energy: 1.2116735771504032 Energy: 1.2301172545575736 Energy: 1.4391477646447204 Energy: 1.3237288667012364 Energy: 1.2301172545603118 Energy: 1.4391477646501971 Energy: 1.3237288667039746 Energy: 1.2301172545603118 Energy: 1.4391477646447204 Energy: 1.3237288667121891 Energy: 1.2301172545575736 Energy: 1.1445128303521284 Energy: 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1.2037694247784065 Energy: 1.1190842693061613 Energy: 1.136493089006588 Energy: 1.203769424786621 Energy: 1.2437849248266963 Energy: 1.3040887536112669 Energy: 1.135343171302518 Energy: 1.2437849248239583 Energy: 1.304088753603052 Energy: 1.1353520277374547 Energy: 1.24378492482122 Energy: 1.3040887536112669 Energy: 1.1353431713052562 Energy: 1.24378492482122 Energy: 1.163149095577081 Energy: 1.365416201010815 Energy: 1.166196596875069 Energy: 1.163149095577081 Energy: 1.3654162010080768 Energy: 1.1661965968641161 Energy: 1.1631490955825574 Energy: 1.3654162010080768 Energy: 1.166196596861378 Energy: 1.1631490955852957 Energy: 1.1657996565093887 Energy: 1.1386470674025027 Energy: 1.1422572981923773 Energy: 1.165799656503912 Energy: 1.1386470674025027 Energy: 1.142257298200592 Energy: 1.165799656503912 Energy: 1.1386470674025027 Energy: 1.1422572981923773 Energy: 1.165799656503912 Energy: 1.1386691897718235 Energy: 1.2110873912651208 Energy: 1.2012359920068538 Energy: 1.1386691897718235 Energy: 1.2110873912705973 Energy: 1.2012359919986888 Energy: 1.1386691897718235 Energy: 1.2110873912569062 Energy: 1.201235992001427 Energy: 1.1386691897773003 Energy: 1.19708484347214 Energy: 1.118842916704745 Energy: 1.1752044064376481 Energy: 1.1970848434776162 Energy: 1.118842916704745 Energy: 1.1752044064376481 Energy: 1.19708484347214 Energy: 1.11884291669653 Energy: 1.1752044064349099 Energy: 1.197084843474878 Energy: 1.2154344664696959 Energy: 1.2128494773930296 Energy: 1.3158850955278854 Energy: 1.2154344664642194 Energy: 1.2128494773957679 Energy: 1.3158850955251469 Energy: 1.2154344664642194 Energy: 1.2128494774012444 Energy: 1.3158850955333619 Energy: 1.2154344664669576 Energy: 1.1189245658029316 Energy: 1.2933526261905453 Energy: 1.157473641907699 Energy: 1.1189245658193612 Energy: 1.2935504678930103 Energy: 1.1574736418994842 Energy: 1.1189245658084082 Energy: 1.2933526262014983 Energy: 1.157473641907699 Energy: 1.1189245658029316 Energy: 1.1444351481977642 Energy: 1.160040632448401 Energy: 1.1604004783525708 Energy: 1.1444351482059787 Energy: 1.1600445515462345 Energy: 1.1604108544882479 Energy: 1.1444351482087172 Energy: 1.1600406324510895 Energy: 1.1604004783525708 Energy: 1.1444351481950261 Energy: 1.1601249258046968 Energy: 1.1597562688636913 Energy: 1.1374070328026697 Energy: 1.1601249258129116 Energy: 1.159755417561111 Energy: 1.1374070328108843 Energy: 1.1601249258074349 Energy: 1.1597562688664296 Energy: 1.137407032808146 Energy: 1.1601249258046968 Energy: 1.3299300597461643 Energy: 1.1560909395675472 Energy: 1.182270421665921 Energy: 1.3299300597598556 Energy: 1.1560690214519682 Energy: 1.1822704216604445 Energy: 1.3299300597571173 Energy: 1.156090939573024 Energy: 1.1822704216604445 Energy: 1.3299300597571173 Energy: 1.2702747828005239 Energy: 1.225994957401075 Energy: 1.1389166269632527 Energy: 1.2702747828005239 Energy: 1.2259949574065017 Energy: 1.1389166269550377 Energy: 1.2702747827950471 Energy: 1.225994957401075 Energy: 1.1389166269522994 Energy: 1.2702747828005239 minimum gb energy = 1.1144695870291976 eV minimum distance = 2.1753662554994 Angstroms sigma value = 185 ======================================== theta = 62.96430821058772 ======================================== Energy: 1.178398173986772 Energy: 0.6859894406095691 Energy: 0.6607384211802133 Energy: 0.825080504632705 Energy: 0.6859894406105148 Energy: 0.6607384211753081 Energy: 1.1783981739977645 Energy: 0.6859894406141198 Energy: 0.6607384211802133 Energy: 0.825080504632705 Energy: 1.0221998750565875 Energy: 0.6491562272683016 Energy: 0.8917244073279097 Energy: 0.88301937156156 Energy: 0.6491562272686561 Energy: 1.1398360838227841 Energy: 1.0221998750565875 Energy: 0.6491562272719066 Energy: 0.8917244073334651 Energy: 0.8830193715680609 Energy: 0.8150297745255349 Energy: 0.689321132002286 Energy: 0.8295388557363456 Energy: 0.8625723330362632 Energy: 0.6893211319990356 Energy: 0.7408855750112511 Energy: 0.8150297745323903 Energy: 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1.524406966281049 Energy: 1.5100614512913515 Energy: 1.478691408598007 Energy: 1.5244069662919786 Energy: 1.5100614513044195 Energy: 1.5596780760909295 Energy: 1.5482953093596177 Energy: 1.4121180014381454 Energy: 1.55967807608 Energy: 1.5482953093465497 Energy: 1.4121180014208008 Energy: 1.5596780760865738 Energy: 1.5482953093400553 Energy: 1.412118001418583 Energy: 1.5596780760974238 Energy: 1.4456073300845311 Energy: 1.5334091236745337 Energy: 1.4938883436008088 Energy: 1.444805824210322 Energy: 1.5334091236766723 Energy: 1.493888343598591 Energy: 1.4456073300780372 Energy: 1.5334091236679603 Energy: 1.493888343607303 Energy: 1.444805824210322 Energy: 1.481061191026941 Energy: 1.479250381058596 Energy: 1.4418456090090692 Energy: 1.451726792943169 Energy: 1.4792503810694462 Energy: 1.441845609006931 Energy: 1.4810611910356528 Energy: 1.4792503810650903 Energy: 1.4418456090112866 Energy: 1.4517267929496633 Energy: 1.4817251037159165 Energy: 1.4303275926929884 Energy: 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1.4786786142488557 Energy: 1.4361658618207658 Energy: 1.4392597085411056 Energy: 1.5099438714952447 Energy: 1.4361658618251216 Energy: 1.4392597085411056 Energy: 1.509943871490889 Energy: 1.4361658618251216 Energy: 1.4392597085367493 Energy: 1.5099438714952447 Energy: 1.4361658618207658 Energy: 1.6113204786325195 Energy: 1.5536163613992748 Energy: 1.4484655336739152 Energy: 1.6113204786346578 Energy: 1.553616361394919 Energy: 1.4484754609881154 Energy: 1.6113204786325195 Energy: 1.553616361390563 Energy: 1.4484655336804886 Energy: 1.6113204786281632 Energy: 1.4420008075068977 Energy: 1.7226053770231413 Energy: 1.468729508217119 Energy: 1.4420008074894737 Energy: 1.7226053770252796 Energy: 1.4687295082149805 Energy: 1.4420008074981858 Energy: 1.7226053770252796 Energy: 1.468729508208407 Energy: 1.4420008075047595 Energy: 1.467523805722217 Energy: 1.5054924758609736 Energy: 1.4323657028620909 Energy: 1.4675238057156437 Energy: 1.5054799757945885 Energy: 1.4323657028948003 Energy: 1.4675238057047932 Energy: 1.5054924758696857 Energy: 1.4323657028948003 Energy: 1.467523805722217 Energy: 1.4278880033264532 Energy: 1.4135761223335446 Energy: 1.5939745964737067 Energy: 1.4278880033177415 Energy: 1.4135761223291885 Energy: 1.5939745964758452 Energy: 1.4278880033177415 Energy: 1.413576122331406 Energy: 1.5939745964889132 Energy: 1.427888003322097 Energy: 1.5257570687000528 Energy: 1.4127309063409246 Energy: 1.4276234896522582 Energy: 1.5257570686956967 Energy: 1.4127309063430629 Energy: 1.4276234896522582 Energy: 1.5257570686848465 Energy: 1.4127309063365685 Energy: 1.4276234896543964 Energy: 1.5257570686913409 Energy: 1.471241277221557 Energy: 1.4426117742107847 Energy: 1.4853439393638344 Energy: 1.4712412772128451 Energy: 1.442611774206429 Energy: 1.4853439393638344 Energy: 1.4712412772172012 Energy: 1.4426117742107847 Energy: 1.4853439393551222 Energy: 1.4712412772280514 Energy: 1.5304876353785983 Energy: 1.5268006963064311 Energy: 1.4537206558063998 Energy: 1.53048763537646 Energy: 1.5268006962955807 Energy: 1.4537206558041822 Energy: 1.5304876353698862 Energy: 1.5268006962847305 Energy: 1.4537206558041822 Energy: 1.530487635367748 Energy: 1.4396988243255426 Energy: 1.570571314056389 Energy: 1.5047682352424168 Energy: 1.439698824323404 Energy: 1.570571314060745 Energy: 1.5047682352358434 Energy: 1.43969882432776 Energy: 1.5705713140628832 Energy: 1.504768235231487 Energy: 1.4396988243190483 Energy: 1.512141586722593 Energy: 1.4468593888155938 Energy: 1.4500115486770881 Energy: 1.5121415867182368 Energy: 1.446859388806882 Energy: 1.4500115486748708 Energy: 1.512141586722593 Energy: 1.44685938881995 Energy: 1.4500115486748708 Energy: 1.512141586722593 minimum gb energy = 1.412118001418583 eV minimum distance = 2.17367322395308 Angstroms sigma value = 293 ======================================== theta = 91.16938280561406 ======================================== Energy: 1.4794654326494345 Energy: 1.490899532227083 Energy: 1.5120471723151176 Energy: 1.4737970129669469 Energy: 1.4908995322190808 Energy: 1.5120471723204527 Energy: 1.479465432652102 Energy: 1.4908995322190808 Energy: 1.5120471723204527 Energy: 1.4737970129669469 Energy: 1.521427723812032 Energy: 1.43410656404669 Energy: 1.5191953245785899 Energy: 1.5214277238093645 Energy: 1.434106564052025 Energy: 1.519195324581257 Energy: 1.5214277238040297 Energy: 1.43410656404669 Energy: 1.519195324581257 Energy: 1.521427723812032 Energy: 1.431312599512908 Energy: 1.4238118357188025 Energy: 1.429978599445144 Energy: 1.4313125995182425 Energy: 1.42391595355874 Energy: 1.429978599445144 Energy: 1.43131259952091 Energy: 1.4238118357161837 Energy: 1.4299785994478114 Energy: 1.431312599512908 Energy: 1.5077669100180433 Energy: 1.4245311117699606 Energy: 1.6845728268281979 Energy: 1.5077669100153759 Energy: 1.424529485117336 Energy: 1.684572826817528 Energy: 1.5077669100180433 Energy: 1.424531111777963 Energy: 1.6845728268201954 Energy: 1.5077669100180433 Energy: 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1.5014589504599676 Energy: 1.4361224051267634 Energy: 1.481260077834204 Energy: 1.5014589504573 Energy: 1.4361224051240957 Energy: 1.554001786007743 Energy: 1.5252457245889288 Energy: 1.5737748304387729 Energy: 1.5540017860104105 Energy: 1.5252457245889288 Energy: 1.573774830433438 Energy: 1.5540017860050759 Energy: 1.525245724583594 Energy: 1.5737748304361054 Energy: 1.5540017860050759 Energy: 1.6172816099656973 Energy: 1.4541504683843 Energy: 1.4383675482713916 Energy: 1.6172816099630296 Energy: 1.4541504683869677 Energy: 1.4384283877441515 Energy: 1.6172816099656973 Energy: 1.4541504683816326 Energy: 1.4383675482660567 Energy: 1.6172816099656973 Energy: 1.514663250848375 Energy: 1.5332963204319117 Energy: 1.4242776227997065 Energy: 1.5146632508457074 Energy: 1.5332963204292442 Energy: 1.4242776227997065 Energy: 1.514663250848375 Energy: 1.5332963204372467 Energy: 1.424277622802374 Energy: 1.5146632508510423 Energy: 1.4273437503474655 Energy: 1.4256745788511496 Energy: 1.4407499788965261 Energy: 1.4273437503447979 Energy: 1.4256745788511496 Energy: 1.4407499788991938 Energy: 1.4273437503447979 Energy: 1.4256745788564846 Energy: 1.44074997890448 Energy: 1.4273437503528001 Energy: 1.5292633398067432 Energy: 1.547294665588513 Energy: 1.4340182225968972 Energy: 1.5130580722273033 Energy: 1.5472946655965152 Energy: 1.4340182225995646 Energy: 1.5292633398040756 Energy: 1.5472946655938475 Energy: 1.4340182225968972 Energy: 1.5130580722326379 Energy: 1.4794654326494345 Energy: 1.490899532227083 Energy: 1.5120471723151176 Energy: 1.4737970129669469 Energy: 1.4908995322190808 Energy: 1.51204717232312 Energy: 1.4794654326494345 Energy: 1.490899532221748 Energy: 1.51204717232312 Energy: 1.4737970129669469 Energy: 1.521427723812032 Energy: 1.43410656404669 Energy: 1.519195324581257 Energy: 1.5214277238093645 Energy: 1.434106564052025 Energy: 1.519195324581257 Energy: 1.5214277238093645 Energy: 1.43410656404669 Energy: 1.5191953245785899 Energy: 1.521427723812032 Energy: 1.431312599515575 Energy: 1.4238118357188025 Energy: 1.429978599445144 Energy: 1.431312599515575 Energy: 1.4239159535614077 Energy: 1.429978599445144 Energy: 1.43131259952091 Energy: 1.4238118357188025 Energy: 1.4299785994478114 Energy: 1.4313125995182425 Energy: 1.5077669100153759 Energy: 1.424531111772628 Energy: 1.6845728268255304 Energy: 1.5077669100127085 Energy: 1.4245294851146686 Energy: 1.6845728268201954 Energy: 1.5077669100180433 Energy: 1.424531111772628 Energy: 1.6845728268201954 Energy: 1.5077669100180433 Energy: 1.6088059625495614 Energy: 1.4480944591714613 Energy: 1.473977945488692 Energy: 1.6088059625495614 Energy: 1.448094459168794 Energy: 1.4739779454940272 Energy: 1.608805962546894 Energy: 1.448094459168794 Energy: 1.4739779454913597 Energy: 1.6088059625522289 Energy: 1.573230735774311 Energy: 1.5569139688778035 Energy: 1.5255730146148643 Energy: 1.5732307357769784 Energy: 1.5569139688751361 Energy: 1.5255693825098482 Energy: 1.5732307357769784 Energy: 1.5569139688831386 Energy: 1.5255730146201507 Energy: 1.573230735774311 Energy: 1.435730695558435 Energy: 1.4341216759894166 Energy: 1.4553909828689409 Energy: 1.4357306955531002 Energy: 1.4341216759840816 Energy: 1.4553909828716085 Energy: 1.4357306955531002 Energy: 1.4341216759840816 Energy: 1.455390982874276 Energy: 1.435730695558435 Energy: 1.5717159115663506 Energy: 1.4515067036147122 Energy: 1.451483911192909 Energy: 1.5717159115663506 Energy: 1.4515067036093774 Energy: 1.451483911198244 Energy: 1.5717159115636832 Energy: 1.4515067036067097 Energy: 1.451483911192909 Energy: 1.5717159115716854 Energy: 1.4361224051240957 Energy: 1.481260077834204 Energy: 1.5014589504573 Energy: 1.4361224051267634 Energy: 1.481260077834204 Energy: 1.5014589504573 Energy: 1.4361224051267634 Energy: 1.4812600778368714 Energy: 1.5014589504573 Energy: 1.4361224051214283 Energy: 1.554001786007743 Energy: 1.5252457245915965 Energy: 1.5737748304414405 Energy: 1.5540017860104105 Energy: 1.5252457245915965 Energy: 1.573774830433438 Energy: 1.5540017860050759 Energy: 1.525245724583594 Energy: 1.5737748304361054 Energy: 1.5540017860024082 Energy: 1.6172816099656973 Energy: 1.4541504683869677 Energy: 1.438608884117818 Energy: 1.6172816099630296 Energy: 1.4541504683869677 Energy: 1.4386094339440296 Energy: 1.6172816099630296 Energy: 1.4541504683843 Energy: 1.4386088841204856 Energy: 1.6172816099656973 Energy: 1.5146632508510423 Energy: 1.5332963204399142 Energy: 1.424277622802374 Energy: 1.5146632508430402 Energy: 1.5332963204185743 Energy: 1.4242776227997065 Energy: 1.5146632508430402 Energy: 1.533296320434579 Energy: 1.424277622802374 Energy: 1.5146632508510423 minimum gb energy = 1.4236771047845316 eV minimum distance = 2.23161827042706 Angstroms sigma value = 293 ======================================== theta = 101.5369590328155 ======================================== Energy: 1.434084321371742 Energy: 1.4351337691098098 Energy: 1.4351446075419594 Energy: 1.4340843213731884 Energy: 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1.641977357351905 Energy: 1.5185811404378171 Energy: 1.3879200419697724 Energy: 1.641977357365018 Energy: 1.5185811404312608 Energy: 1.3879247757538689 Energy: 1.641977357351905 Energy: 1.5185811404356315 Energy: 1.4097414968354671 Energy: 1.4049130475011804 Energy: 1.5438866066796362 Energy: 1.4097414968354671 Energy: 1.4049130474968095 Energy: 1.5438866066861925 Energy: 1.4097414968420234 Energy: 1.4049130474989948 Energy: 1.5438866066861925 Energy: 1.4097414968420234 Energy: 1.4053616406843692 Energy: 1.473906126634415 Energy: 1.4093930897660747 Energy: 1.4053616408176408 Energy: 1.4739061266366005 Energy: 1.4093914074354308 Energy: 1.4053616405686211 Energy: 1.4739061266387858 Energy: 1.4093930897748164 Energy: 1.40536164088972 Energy: 1.379153918283854 Energy: 1.4763779556713632 Energy: 1.6074616900485577 Energy: 1.3791539182860393 Energy: 1.47637795567788 Energy: 1.6074616900529288 Energy: 1.379153918283854 Energy: 1.4763779556800651 Energy: 1.6074616900529288 Energy: 1.3791539182860393 Energy: 1.4070137323905185 Energy: 1.534259759462156 Energy: 1.5806781048200658 Energy: 1.4070137323905185 Energy: 1.534259759464302 Energy: 1.5806781048200658 Energy: 1.4070137323948895 Energy: 1.534259759462156 Energy: 1.5806781048156953 Energy: 1.4070137323883334 minimum gb energy = 1.3781123229710768 eV minimum distance = 2.19379663823607 Angstroms sigma value = 437 ======================================== theta = 117.03569178941231 ======================================== Energy: 1.3669640127640932 Energy: 1.3661401247469398 Energy: 1.366201149654882 Energy: 1.366964012763297 Energy: 1.366140124747736 Energy: 1.3662011496516973 Energy: 1.3669640127640932 Energy: 1.3661401247469398 Energy: 1.3662011496540858 Energy: 1.366964012763297 Energy: 1.4789969783474852 Energy: 1.3290506833466513 Energy: 1.5080067771083547 Energy: 1.4789969783466892 Energy: 1.3290506833474474 Energy: 1.5080067771091508 Energy: 1.4789969783474852 Energy: 1.3290506833474474 Energy: 1.5080067771083547 Energy: 1.4789969783474852 Energy: 1.4641623486536133 Energy: 1.314463941515095 Energy: 1.6227109811420994 Energy: 1.4641623486544095 Energy: 1.3144639415103179 Energy: 1.6227109811484688 Energy: 1.4641623486544095 Energy: 1.3144639415158912 Energy: 1.6227109811420994 Energy: 1.4641623486536133 Energy: 1.468020009445627 Energy: 1.5636262786401371 Energy: 1.4488322918143057 Energy: 1.4680200094464235 Energy: 1.563626278642526 Energy: 1.448832291815898 Energy: 1.4680200094464235 Energy: 1.5636262786401371 Energy: 1.448832291815102 Energy: 1.4680200094472196 Energy: 1.537597959056154 Energy: 1.351549563767466 Energy: 1.680323125017818 Energy: 1.5375979590577462 Energy: 1.3515495637682624 Energy: 1.6803231250202066 Energy: 1.537597959056154 Energy: 1.351549563767466 Energy: 1.680323125017818 Energy: 1.5375979590577462 Energy: 1.4162046012378997 Energy: 1.5066471920912126 Energy: 1.32963159425175 Energy: 1.4162046012402885 Energy: 1.5066471920920088 Energy: 1.32963159425175 Energy: 1.4162046012378997 Energy: 1.5066471920912126 Energy: 1.32963159425175 Energy: 1.4162046012402885 Energy: 1.5250192719261337 Energy: 1.4431937545320699 Energy: 1.3145977176709145 Energy: 1.5250192719253377 Energy: 1.3790712289960227 Energy: 1.3145977176677297 Energy: 1.5250192719253377 Energy: 1.3790712289936344 Energy: 1.3145977176709145 Energy: 1.5250192719261337 Energy: 1.446851928476952 Energy: 1.52403439107856 Energy: 1.440936886623432 Energy: 1.4468519284777486 Energy: 1.52403439107856 Energy: 1.4409368866218395 Energy: 1.446851928476952 Energy: 1.52403439107856 Energy: 1.440936886623432 Energy: 1.4468519284777486 Energy: 1.7053459139820912 Energy: 1.5058161422517076 Energy: 1.3521235204685529 Energy: 1.705345913985276 Energy: 1.5058161422525036 Energy: 1.3521235204669604 Energy: 1.7053459139820912 Energy: 1.5058161422509113 Energy: 1.352123520469349 Energy: 1.705345913985276 Energy: 1.448713753993502 Energy: 1.4990879290535526 Energy: 1.4663434937315594 Energy: 1.448713753993502 Energy: 1.4990879290527563 Energy: 1.4663434937235977 Energy: 1.448713753993502 Energy: 1.4990879290535526 Energy: 1.4663434937228017 Energy: 1.448713753993502 Energy: 1.42662758471309 Energy: 1.3930657560576076 Energy: 1.5432042229752525 Energy: 1.426627584713886 Energy: 1.3277681425641201 Energy: 1.5432042229752525 Energy: 1.42662758471309 Energy: 1.3277681425617318 Energy: 1.5432042229752525 Energy: 1.426627584713886 Energy: 1.4992252255050262 Energy: 1.3307221885097444 Energy: 1.484797422588778 Energy: 1.4992252255050262 Energy: 1.330722188511337 Energy: 1.4847974225911664 Energy: 1.4992252255050262 Energy: 1.3307221885089482 Energy: 1.484797422588778 Energy: 1.4992252255058223 Energy: 1.3327619556816768 Energy: 1.5978291526736337 Energy: 1.3325465314029226 Energy: 1.3327619556880463 Energy: 1.5978291526792068 Energy: 1.3325465313981453 Energy: 1.332761955682473 Energy: 1.5978291526768185 Energy: 1.3325465314021263 Energy: 1.33276195568725 Energy: 1.353100925284232 Energy: 1.3697408297465419 Energy: 1.4417227430601611 Energy: 1.3531009252834358 Energy: 1.3697408297481344 Energy: 1.4417227430593647 Energy: 1.353100925284232 Energy: 1.3697408297457458 Energy: 1.4417227430601611 Energy: 1.3531009252834358 minimum gb energy = 1.3144639415103179 eV minimum distance = 2.19305784979328 Angstroms sigma value = 33