Model name: model_name=EAM_Dynamo_NormanStarikovStegailov_2012_Au__MO_592431957881_000 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Au Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.068500626087188 cohesive_energy=4.299700974521185 mass=196.9665 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=60.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[9.58971609044262e-20, 9.76613175961236e-20, 1.4088371730453179e-19, 1.8959357198438997e-19, 2.4160663423056595e-19, 3.0183405607925996e-19, 3.6785975516639994e-19, 4.3243228004650197e-19, 4.87060094559366e-19, 5.2923899662605e-19, 5.60298792852774e-19, 5.832291448385819e-19, 6.0181759814625e-19, 6.17937097260924e-19, 6.319817776345679e-19, 6.44196772292184e-19, 6.547855576662899e-19, 6.638634904745339e-19, 6.71478636015936e-19, 6.7769668353249e-19, 6.8254326785034e-19, 6.860263998526559e-19, 6.88130057773098e-19, 6.88833413315424e-19, 6.880419380582279e-19, 6.854175727317359e-19, 6.8052292311486595e-19, 6.728324752716659e-19, 6.6195209375017185e-19, 6.47304994962144e-19, 6.2819743642506e-19, 6.039324713031299e-19, 5.738003353474919e-19, 5.366602787947379e-19, 4.90943770720182e-19, 4.34787479698482e-19, 3.6551416857422396e-19, 2.7989064489999596e-19] 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: 0.01603534350536693 Energy: 0.016705999478082486 Energy: 0.016705999478082486 Energy: 0.6055127909528611 Energy: 0.6204587158433957 Energy: 0.22184114470782834 Energy: 0.018570423483441355 Energy: 0.0170172599289791 Energy: 0.0170172599289791 Energy: 0.17376638913897333 Energy: 12.852729238336304 Energy: 6.474590052396903 Energy: 0.01710643296783242 Energy: 6.481029668395591 Energy: 0.016447674454323585 Energy: 0.016447674454323585 Energy: 12.503322481373443 Energy: 12.50310779015525 Energy: 6.474370977330384 Energy: 6.475083211951081 Energy: 6.4750916703097205 Energy: 0.01823162262273253 Energy: 0.01823162262273253 Energy: 0.01823162262273253 Energy: 0.6036382010334871 Energy: 0.6202720119916473 Energy: 6.4789278612991295 Energy: 0.01665317698405536 Energy: 0.01665317698405536 Energy: 0.01665317698405536 Energy: 0.17283339101595327 Energy: 12.858764404554998 Energy: 6.474455424171538 Energy: 0.01711799869679166 Energy: 0.01711799869679166 Energy: 0.016349819265082506 Energy: 0.016349819265082506 Energy: 12.503125615316838 Energy: 12.502964723266542 Energy: 6.474987107033364 Energy: 6.47475845835979 Energy: 6.4753988456536415 minimum gb energy = 0.01603534350536693 eV minimum distance = 0.00642178093511991 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 2.26447577961824 Energy: 6.03940822301267 Energy: 6.03940822301267 Energy: 6.03940822301267 Energy: 6.03940822301267 Energy: 2.3318903597617777 Energy: 5.196520757139674 Energy: 7.026565159627304 Energy: 7.026565159627304 Energy: 6.716997438355802 Energy: 6.688119629873877 Energy: 7.4399026877461 Energy: 6.707744193578207 Energy: 4.489899161247233 Energy: 5.168331114434007 Energy: 5.251942763025091 Energy: 5.180055377807995 Energy: 5.167735059862791 Energy: 5.172348199865311 Energy: 5.194390590729157 Energy: 3.713681806012348 Energy: 5.182764896577102 Energy: 5.182764896577102 Energy: 5.182764896577102 Energy: 3.705975088502937 Energy: 3.705975088502937 Energy: 3.705975088502937 Energy: 3.705975088502937 Energy: 5.163326404621227 Energy: 5.163326404621227 Energy: 2.9619509433872127 Energy: 2.977452726838705 Energy: 2.9293418415246144 Energy: 3.707728398680115 Energy: 3.707728398680115 Energy: 7.479333334717633 Energy: 7.479333334717633 Energy: 5.1658489958098555 Energy: 4.454145850537182 Energy: 5.2249730308471145 Energy: 5.914179033870854 Energy: 5.914179033870854 Energy: 5.210010548851952 Energy: 4.522880837665104 Energy: 4.522880837665104 Energy: 3.7099937795612883 Energy: 3.692713193452684 Energy: 3.692713193452684 Energy: 4.455878964717269 Energy: 5.151538723467089 Energy: 3.7285349197978004 Energy: 3.7285349197978004 Energy: 3.7285349197978004 Energy: 3.7285349197978004 Energy: 5.918495973306256 Energy: 3.7215209866379544 Energy: 4.475323232907501 Energy: 4.475323232907501 Energy: 5.172636274594239 Energy: 5.172636274594239 Energy: 5.179884314537729 Energy: 5.211764512930281 Energy: 5.211764512930281 Energy: 4.491934300609509 Energy: 4.491934300609509 Energy: 4.456197681765145 Energy: 4.456197681765145 Energy: 4.456197681765145 Energy: 3.7178157643380425 Energy: 5.9475456817583074 Energy: 5.1737135559170975 Energy: 4.493268318397522 Energy: 4.493268318397522 Energy: 4.493268318397522 Energy: 4.493268318397522 Energy: 4.493268318397522 Energy: 3.748910098770725 Energy: 5.141424338051905 Energy: 5.141424338051905 Energy: 5.946743674327293 Energy: 5.946897211863462 Energy: 5.174066437785751 Energy: 5.170764941347036 Energy: 2.9511996013068 Energy: 6.661763884320981 Energy: 6.661763884320981 Energy: 6.650057655965273 Energy: 5.209031213901011 Energy: 5.181667900624211 Energy: 5.9230919238353374 Energy: 3.744501535974174 Energy: 3.6658546793183193 Energy: 5.219194262268879 Energy: 5.219194262268879 Energy: 5.219194262268879 Energy: 2.9268847457346006 Energy: 2.9268847457346006 Energy: 3.77869522350461 Energy: 5.282771255673114 Energy: 5.282771255673114 Energy: 5.2217999932677515 Energy: 3.730119101423701 Energy: 3.730119101423701 Energy: 6.698204493574617 Energy: 6.698204493574617 Energy: 5.220930546785503 Energy: 5.220930546785503 Energy: 4.434768619865509 Energy: 2.957437236509953 Energy: 2.957437236509953 Energy: 5.162582764835085 Energy: 5.162582764835085 Energy: 5.1620744227253015 Energy: 3.6992025977628895 Energy: 3.6992025977628895 Energy: 3.6992025977628895 Energy: 4.421995673929109 Energy: 4.421995673929109 Energy: 4.461007915154946 Energy: 5.969831565531549 Energy: 3.733524179415749 Energy: 3.6993318156907313 Energy: 2.2094004095091235 Energy: 3.683579446292688 Energy: 3.6980085415156823 Energy: 4.4481741718168735 Energy: 4.555480317847154 Energy: 4.555480317847154 Energy: 5.177689148592773 Energy: 5.219131838121971 Energy: 5.983858200043119 Energy: 5.220928130236417 Energy: 5.220928130236417 Energy: 3.001987657603848 Energy: 5.2752731231230605 Energy: 2.9206633600995224 Energy: 2.2326234737907904 Energy: 2.2321879944368357 Energy: 2.952690372767574 Energy: 2.952690372767574 Energy: 6.675590349339077 Energy: 6.675590349339077 Energy: 5.183757943230148 Energy: 5.206464065666612 Energy: 5.966899753979774 Energy: 5.966899753979774 Energy: 5.966899753979774 Energy: 5.143894123639815 Energy: 3.730037709708599 Energy: 5.921134245765822 Energy: 5.213543599847109 Energy: 5.1686322418834125 Energy: 4.44783823904539 Energy: 2.9629367112219067 Energy: 2.9629367112219067 Energy: 2.9629367112219067 Energy: 6.745979067125533 Energy: 6.691669985168254 Energy: 5.942281116310073 Energy: 5.222267155830774 Energy: 3.72044287506191 Energy: 2.1787230652217002 Energy: 5.194254502859103 Energy: 5.194254502859103 Energy: 5.194254502859103 Energy: 5.194254502859103 Energy: 2.9469499544765143 Energy: 5.196071618510407 Energy: 6.648031819495469 Energy: 6.648031819495469 Energy: 5.946442639451545 Energy: 7.428928361763968 Energy: 6.676172902169575 Energy: 6.6880917265747115 Energy: 6.6880917265747115 Energy: 5.169553127018043 Energy: 5.169553127018043 Energy: 5.178480557039296 Energy: 5.163105438511825 Energy: 4.42579963125698 Energy: 5.167587056666684 Energy: 3.72586006249277 Energy: 3.72586006249277 Energy: 3.72586006249277 Energy: 3.72586006249277 Energy: 3.72586006249277 Energy: 3.72586006249277 Energy: 3.72586006249277 Energy: 5.190809451425281 Energy: 5.174824967037457 Energy: 5.174824967037457 Energy: 3.739963796850218 Energy: 3.7554178800139852 Energy: 4.444851037604712 Energy: 4.484167111855653 Energy: 4.484167111855653 Energy: 5.915023081894164 Energy: 5.915023081894164 Energy: 3.7380586414803947 Energy: 4.409141591437706 Energy: 5.245933245515077 Energy: 4.495807190395255 Energy: 4.495807190395255 Energy: 4.495807190395255 Energy: 4.495807190395255 Energy: 4.495807190395255 Energy: 4.495807190395255 Energy: 4.495807190395255 Energy: 4.495807190395255 Energy: 5.932448184757701 Energy: 5.903850124549062 Energy: 5.21692675806402 Energy: 5.143212786813131 Energy: 5.162785092305606 Energy: 5.904398098539557 Energy: 5.916527342571785 Energy: 5.219469093433616 Energy: 5.157509905903474 Energy: 5.157509905903474 Energy: 5.895321352566927 Energy: 6.673268941713353 Energy: 6.684045929199552 Energy: 5.926850629195286 Energy: 5.926850629195286 Energy: 5.926850629195286 Energy: 4.458448448624292 Energy: 4.4314456849885495 Energy: 4.4314456849885495 Energy: 4.4314456849885495 Energy: 3.690151161797227 Energy: 5.195538312786682 Energy: 5.1724191575418175 Energy: 4.493205967603284 Energy: 5.212144054644589 Energy: 5.212144054644589 Energy: 5.212144054644589 Energy: 5.219840178533533 Energy: 3.7180022233973027 Energy: 5.142836017698934 Energy: 3.7241383346735137 Energy: 6.6934976912716815 Energy: 5.9541238916058985 Energy: 5.178934941835908 Energy: 5.899358810144683 Energy: 2.9520555661710697 Energy: 6.660574566060969 Energy: 6.660574566060969 Energy: 5.17858550640922 Energy: 5.954655961581104 Energy: 5.178012220097966 Energy: 5.174999347763993 Energy: 5.174999347763993 Energy: 3.6699641688391296 Energy: 5.240911023709554 Energy: 3.662581323956078 Energy: 3.662581323956078 Energy: 2.9837227197842213 Energy: 3.6610243351730825 Energy: 3.7801283331618833 Energy: 3.7767741409894633 Energy: 3.7767741409894633 Energy: 5.222063341080337 Energy: 4.480152270782557 Energy: 5.956846079924017 Energy: 5.95981088675804 Energy: 5.95981088675804 Energy: 5.223302249550931 Energy: 3.7579888897111715 Energy: 2.9530313473798113 Energy: 2.9594204809816724 Energy: 2.9594204809816724 Energy: 3.7023592282490227 Energy: 5.890903051173346 Energy: 6.666530480575449 Energy: 3.6991093985326904 Energy: 3.6991093985326904 Energy: 3.6991093985326904 Energy: 4.424048557460577 Energy: 4.424048557460577 Energy: 4.463309664951973 Energy: 5.9685752747329675 Energy: 4.422920504951297 Energy: 3.6758685833125315 Energy: 2.9605257296233627 Energy: 3.706679994113839 Energy: 4.411642465934352 Energy: 4.411642465934352 Energy: 6.0645769652789445 Energy: 6.0645769652789445 Energy: 5.913304476267649 Energy: 3.7299688137789846 Energy: 5.231881646734391 Energy: 6.7210704209117305 Energy: 6.7210704209117305 Energy: 6.7210704209117305 Energy: 5.264448902601015 Energy: 5.264448902601015 Energy: 2.23569882868684 Energy: 2.235162683706657 Energy: 2.235162683706657 Energy: 2.235162683706657 Energy: 6.67848553367193 Energy: 6.67848553367193 Energy: 6.648844985505605 Energy: 4.481471401827828 Energy: 5.96852773635223 Energy: 7.403630628627234 Energy: 7.403630628627234 Energy: 5.14175043516242 Energy: 2.954093777194305 Energy: 5.20300938980988 Energy: 5.211533729059088 Energy: 5.182312460376947 Energy: 5.164739574529825 Energy: 2.959518280412732 Energy: 2.959518280412732 Energy: 2.959518280412732 Energy: 2.959518280412732 Energy: 2.959518280412732 Energy: 2.959518280412732 Energy: 4.445912581881041 Energy: 2.9888532671585137 Energy: 3.739668857297752 Energy: 3.739668857297752 Energy: 3.739668857297752 Energy: 3.739668857297752 Energy: 3.739668857297752 Energy: 3.718522956552622 Energy: 5.196110809178876 minimum gb energy = 2.1787230652217002 eV minimum distance = 0.000778786737251863 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 4.098448843681219 Energy: 2.4301987482869793