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_2018_FeNiCrCoCu__MO_803527979660_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 16:31:11 -17.795817 0.161777 BFGS: 1 16:31:11 -17.796862 0.139859 BFGS: 2 16:31:11 -17.799999 0.002665 BFGS: 3 16:31:11 -17.800000 0.000039 BFGS: 4 16:31:11 -17.800000 0.000000 BFGS: 5 16:31:11 -17.800000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 8.457864680914525e-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 2.67157749e-38]] cellpar = Cell([[3.52000076302248, 7.075801120422668e-33, -8.20995932229035e-34], [8.608932224977897e-33, 3.52000076302248, -1.4920703716982507e-21], [-2.242861359330615e-33, -1.492070371694676e-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 -7.71587059e-32 -2.07249603e-35 5.84032043e-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