element(s): ['Co'] 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: ['3.5722'] model name: EAM_Dynamo_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Co'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.5722, 0, 0], [0, 3.5722, 0], [0, 0, 3.5722]] ========================================= Step Time Energy fmax BFGS: 0 15:05:06 -17.629189 0.291626 BFGS: 1 15:05:06 -17.632525 0.242180 BFGS: 2 15:05:06 -17.639998 0.003298 BFGS: 3 15:05:06 -17.640000 0.000070 BFGS: 4 15:05:06 -17.640000 0.000000 BFGS: 5 15:05:07 -17.640000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.6031013408030667e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co', 'Co', 'Co'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [1.80693957e-50 5.00000000e-01 5.00000000e-01] [5.00000000e-01 3.23364432e-42 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[3.5499999045811523, -1.397229948937429e-34, -4.165237020689436e-36], [1.4358188049122956e-34, 3.5499999045811523, -1.7215012831172997e-25], [1.1549478957858142e-33, -1.7215012945916594e-25, 3.5499999045811523]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 3.60310134e-14 3.60310134e-14 3.60310134e-14 -2.40530056e-29 -2.03761693e-35 6.79228382e-51] energy per atom = -4.409999958753147 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0