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_BelandLuOsetskiy_2016_CoNi__MO_871937946490_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 17:07:55 -17.792288 0.1626 BFGS: 1 17:07:55 -17.793343 0.1404 BFGS: 2 17:07:55 -17.796489 0.0030 BFGS: 3 17:07:55 -17.796490 0.0001 BFGS: 4 17:07:55 -17.796490 0.0000 BFGS: 5 17:07:55 -17.796490 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.2460272689498962e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni', 'Ni', 'Ni'] basis = [[0.0000000e+00 0.0000000e+00 0.0000000e+00] [3.0372209e-49 5.0000000e-01 5.0000000e-01] [5.0000000e-01 0.0000000e+00 5.0000000e-01] [5.0000000e-01 5.0000000e-01 0.0000000e+00]] cellpar = Cell([[3.520013585291076, -7.295213327454833e-35, -9.283457545842024e-33], [7.295999505981547e-35, 3.520013585291076, 2.3804740174813766e-21], [7.369645080894519e-33, 2.3804740174697044e-21, 3.520013585291076]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-2.24602727e-14 -2.24602727e-14 -2.24602727e-14 9.97439600e-30 1.39892463e-34 -3.10624988e-50] energy per atom = -4.421861221634348 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0