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_Foiles_1985_Ni__MO_010059867259_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 15:22:29 -17.795816 0.161896 BFGS: 1 15:22:29 -17.796863 0.139921 BFGS: 2 15:22:29 -17.799999 0.002823 BFGS: 3 15:22:29 -17.800000 0.000051 BFGS: 4 15:22:29 -17.800000 0.000000 BFGS: 5 15:22:29 -17.800000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.1124719126112833e-14 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 8.54904993e-37]] cellpar = Cell([[3.519999955673408, -2.78551659750183e-33, -8.007882755188848e-35], [1.6003869178536543e-33, 3.519999955673408, 4.2018935807496373e-20], [-1.044725985044916e-34, 4.2018935807487544e-20, 3.519999955673408]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-1.11247191e-14 -1.11247191e-14 -1.11247191e-14 -5.75302779e-31 -8.28998792e-35 -2.49961904e-51] energy per atom = -4.4500000009614 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0