element(s): ['Ni'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.5048'] model name: EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ni'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.5048, 0, 0], [0, 3.5048, 0], [0, 0, 3.5048]] ========================================= Step Time Energy fmax BFGS: 0 17:07:57 -17.795817 0.1618 BFGS: 1 17:07:57 -17.796862 0.1399 BFGS: 2 17:07:57 -17.799999 0.0027 BFGS: 3 17:07:57 -17.800000 0.0000 BFGS: 4 17:07:57 -17.800000 0.0000 BFGS: 5 17:07:57 -17.800000 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 8.457864680914529e-15 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni', 'Ni', 'Ni'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[3.52000076302248, 9.556164904022069e-33, -7.792587216443896e-34], [9.192547232882586e-33, 3.52000076302248, -1.4920703716981777e-21], [-8.804111571581463e-34, -1.4920703716959892e-21, 3.52000076302248]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-8.45786468e-15 -8.45786468e-15 -8.45786468e-15 7.79174742e-32 -2.07249603e-35 7.10298360e-53] energy per atom = -4.450000015454344 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0