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_BelandLuOsetskiy_2016_CoNi__MO_871937946490_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 16:15:15 -17.530786 0.092337 BFGS: 1 16:15:15 -17.531124 0.078584 BFGS: 2 16:15:15 -17.532009 0.000432 BFGS: 3 16:15:15 -17.532009 0.000002 BFGS: 4 16:15:15 -17.532009 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.7183077182552774e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co', 'Co', 'Co'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 4.22136501e-37 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[3.564327571797887, -1.728801797264251e-33, 3.0027525547193702e-34], [-8.645731551400338e-33, 3.564327571797887, -1.6368802716174625e-20], [-1.6475480639931473e-33, -1.636880271615359e-20, 3.564327571797887]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 2.71830772e-12 2.71830772e-12 2.71830772e-12 -1.29776214e-28 2.52658559e-36 -1.10148411e-52] energy per atom = -4.3658661224203765 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0