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 18:04:05 -8.738653 0.3125 BFGS: 1 18:04:05 -8.742340 0.2385 BFGS: 2 18:04:05 -8.747722 0.0145 BFGS: 3 18:04:05 -8.747743 0.0008 BFGS: 4 18:04:05 -8.747743 0.0000 BFGS: 5 18:04:05 -8.747743 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.6171487076565643e-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, 2.046128507719623e-32, 5.4347485388486035e-34], [5.8525206196094475e-33, 2.812021612194607, 8.26151039774871e-20], [2.5574779978490695e-33, 8.261510397748821e-20, 2.812021612194607]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-3.61714871e-10 -3.61714871e-10 -3.61714871e-10 -2.74084231e-26 3.53369498e-58 -2.89037101e-58] 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