element(s): ['Ni'] AFLOW prototype label: A_cI2_229_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.7844'] model name: EAM_Dynamo_BonnyPasianotMalerba_2009_FeNi__MO_267721408934_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ni'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[2.7844, 0, 0], [0, 2.7844, 0], [0, 0, 2.7844]] ========================================= Step Time Energy fmax BFGS: 0 17:06:08 -8.738653 0.312490 BFGS: 1 17:06:08 -8.742340 0.238507 BFGS: 2 17:06:08 -8.747722 0.014490 BFGS: 3 17:06:08 -8.747743 0.000785 BFGS: 4 17:06:08 -8.747743 0.000005 BFGS: 5 17:06:08 -8.747743 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.617148707656562e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.812021612194607, 1.753908051695578e-32, -1.000283458571041e-34], [4.939331697739923e-33, 2.812021612194607, 8.261510397748784e-20], [2.7704418429486324e-33, 8.261510397748766e-20, 2.812021612194607]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-3.61714871e-10 -3.61714871e-10 -3.61714871e-10 2.62927083e-28 3.70135844e-58 -7.37197432e-59] energy per atom = -4.337419356250969 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0