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 16:50:06 -17.538257 0.0936 BFGS: 1 16:50:06 -17.538605 0.0797 BFGS: 2 16:50:06 -17.539514 0.0004 BFGS: 3 16:50:06 -17.539514 0.0000 BFGS: 4 16:50:06 -17.539514 0.0000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.104735353460701e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co', 'Co', 'Co'] basis = [[0.0000000e+00 0.0000000e+00 0.0000000e+00] [0.0000000e+00 5.0000000e-01 5.0000000e-01] [5.0000000e-01 1.6490196e-39 5.0000000e-01] [5.0000000e-01 5.0000000e-01 0.0000000e+00]] cellpar = Cell([[3.564221880882786, -1.1419441814617534e-33, 1.6662438724899044e-33], [1.1889125504859283e-33, 3.564221880882786, 8.011893476097666e-23], [1.779619235536049e-33, 8.011893475953351e-23, 3.564221880882786]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 6.10473535e-12 6.10473535e-12 6.10473535e-12 3.24494334e-29 -1.01069417e-35 1.12295956e-51] energy per atom = -4.3848785077864205 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0