Model name: model_name=EAM_Dynamo_FarkasCaro_2018_FeNiCrCoCu__MO_803527979660_000 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Fe Lattice type: short_name=bcc Lattice constant (meters) and cohesive energy (J): a=2.860342010855675 cohesive_energy=4.301279955555746 mass=55.845 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: 0.01503663274878311 Energy: -1.1183533067284726 Energy: -1.1141729450542892 Energy: -1.1141729450542892 Energy: -1.1141747014802637 Energy: -1.1183983755624367 Energy: 0.015036632749229143 Energy: -1.118369466275937 Energy: -1.1141343030802278 Energy: -1.1141343030802278 Energy: 0.14533708975560594 Energy: -1.1269658334970691 Energy: -1.1431249976848887 Energy: 0.1419463791862492 Energy: -1.1431249998602766 Energy: -1.1269584666213412 Energy: 0.14533708975584209 Energy: -1.1269387265998514 Energy: -1.1431249996276305 Energy: 0.1419463791862492 Energy: 0.015036632749019244 Energy: -1.1184573911594666 Energy: -1.1141539128309785 Energy: -1.1141539128309785 Energy: -1.1141205144449462 Energy: -1.1184017665650103 Energy: 0.015036632749019244 Energy: -1.1184357516783334 Energy: -1.1141706866119063 Energy: -1.1141706866119063 Energy: 0.14533708975605197 Energy: -1.1269553854108787 Energy: -1.1431249988577228 Energy: 0.1419463791862492 Energy: -1.1431249982893177 Energy: -1.1269620220154366 Energy: 0.14533708975628815 Energy: -1.1269423331732316 Energy: -1.143124997862804 Energy: 0.1419463791862492 Energy: 0.015036632749229143 Energy: -1.1183999535295983 Energy: -1.1141226784257432 Energy: -1.1141226784257432 Energy: -1.1141250944466055 Energy: -1.118399487817888 Energy: 0.015036632749229143 Energy: -1.1184125425025577 Energy: -1.1141275771170318 Energy: -1.1141275771170318 Energy: 0.14533708975560594 Energy: -1.1269570549307737 Energy: -1.1431249979202898 Energy: 0.1419463791862492 Energy: -1.1431250003031361 Energy: -1.1268862175994854 Energy: 0.14533708975605197 Energy: -1.1269364567566489 Energy: -1.1431249994797044 Energy: 0.1419463791862492 Energy: 0.01503663274878311 Energy: -1.1184027528526936 Energy: -1.1141561010491472 Energy: -1.1141561010491472 Energy: -1.1141196963205031 Energy: -1.1184148273629997 Energy: 0.015036632749019244 Energy: -1.1183389824122933 Energy: -1.1141724253568985 Energy: -1.1141724253568985 minimum gb energy = -1.1431250003031361 eV minimum distance = 2.46090269144131 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: -1.3312988007214255 Energy: -2.113631784790147 Energy: -1.7712983779077238 Energy: -1.8246939160241342 Energy: -1.7743233436753074 Energy: -2.1184519347455235 Energy: -1.3312988007282123 Energy: -2.1136317847240282 Energy: -1.7712983815030825 Energy: -1.8246939160218718 Energy: -1.4461577243857062 Energy: -1.9006620685233848 Energy: -1.5187453415349736 Energy: -1.9406799740514022 Energy: -1.422730025907678 Energy: -1.7692813802669274 Energy: -1.446157724383444 Energy: -1.9006620685279094 Energy: -1.5187453415327112 Energy: -1.940679974048009 Energy: -2.369629926235416 Energy: -1.8538983657325943 Energy: -1.4559272482334134 Energy: -1.461956306989195 Energy: -2.1447109823455253 Energy: -1.9978772442328931 Energy: -2.369629730217277 Energy: -1.853898365734291 Energy: -1.4559271231529307 Energy: -1.4619563069835395 Energy: -2.3851432376808335 Energy: -1.9015800262979559 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