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_PunYamakovMishin_2013_AlCo__MO_678952612413_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 16:15:20 -17.538257 0.093608 BFGS: 1 16:15:20 -17.538605 0.079662 BFGS: 2 16:15:20 -17.539514 0.000448 BFGS: 3 16:15:20 -17.539514 0.000002 BFGS: 4 16:15:20 -17.539514 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.105689886886016e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co', 'Co', 'Co'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [2.39963935e-50 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[3.5642218808827866, -9.28055539988592e-34, -6.311379777324477e-34], [-6.0775416777751555e-34, 3.5642218808827866, 7.294968520754994e-23], [-4.538734663583597e-33, 7.29496852120484e-23, 3.5642218808827866]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 6.10568989e-12 6.10568989e-12 6.10568989e-12 1.38703884e-28 2.02138835e-35 -2.66379979e-51] energy per atom = -4.384878507786421 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0