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_FischerSchmitzEich_2019_CuNi__MO_266134052596_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 -17.795803 0.1625 BFGS: 1 17:07:57 -17.796857 0.1403 BFGS: 2 17:07:57 -17.799998 0.0030 BFGS: 3 17:07:57 -17.800000 0.0001 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: 2.0877463004678896e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni', 'Ni', 'Ni'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [4.85957215e-50 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[3.520000032958623, -6.930448737713502e-34, -3.5466232024575468e-34], [2.344430962443276e-33, 3.520000032958623, -1.2574970247162438e-21], [-8.889914351453904e-36, -1.2574970247164495e-21, 3.520000032958623]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-2.08774630e-14 -2.08774630e-14 -2.08774630e-14 -1.92853060e-31 5.18124222e-36 1.71607501e-52] energy per atom = -4.4499999851716785 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0