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_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_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 15:21:24 -17.795817 0.161777 BFGS: 1 15:21:24 -17.796862 0.139859 BFGS: 2 15:21:24 -17.799999 0.002665 BFGS: 3 15:21:24 -17.800000 0.000039 BFGS: 4 15:21:24 -17.800000 0.000000 BFGS: 5 15:21:24 -17.800000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.5766454761892056e-15 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni', 'Ni', 'Ni'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 2.13726199e-37]] cellpar = Cell([[3.520000763021582, 1.0114262051886377e-33, 1.6876011716016982e-35], [1.412659956964287e-34, 3.520000763021582, -7.874177796086166e-21], [7.451052115763183e-35, -7.874177796086227e-21, 3.520000763021582]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-6.57664548e-15 -6.57664548e-15 -6.57664548e-15 1.80887682e-31 -2.07249603e-35 3.03399014e-52] energy per atom = -4.450000015454237 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0