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_PanBorovikovMendelev_2108_AgNi__MO_222110751402_000 ==== 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 18:05:11 -8.583843 0.1667 BFGS: 1 18:05:11 -8.584968 0.1480 BFGS: 2 18:05:11 -8.588874 0.0148 BFGS: 3 18:05:11 -8.588908 0.0014 BFGS: 4 18:05:11 -8.588909 0.0000 BFGS: 5 18:05:11 -8.588909 0.0000 BFGS: 6 18:05:11 -8.588909 0.0000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 8.423301586183612e-15 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.7570311180222236, 2.1089002681443827e-33, 4.84722543702672e-34], [2.986087544954466e-33, 2.7570311180222236, 2.629300347414165e-19], [-4.489350275069441e-34, 2.62930034741417e-19, 2.7570311180222236]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 8.42330159e-15 8.42330159e-15 8.42330159e-15 1.26861921e-32 8.59826194e-64 -1.05682483e-63] energy per atom = -4.294454362199602 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0