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_PunMishin_2012_Co__MO_885079680379_005 ==== 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 15:14:41 -17.538257 0.093610 BFGS: 1 15:14:41 -17.538605 0.079660 BFGS: 2 15:14:41 -17.539514 0.000420 BFGS: 3 15:14:41 -17.539514 0.000002 BFGS: 4 15:14:41 -17.539514 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.368838650226286e-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 1.64901956e-39 5.00000000e-01] [5.00000000e-01 5.00000000e-01 1.64901956e-39]] cellpar = Cell([[3.564221984488621, 5.578980762299664e-34, -4.3676464000496005e-33], [3.546193932708378e-35, 3.564221984488621, -8.68118388214778e-23], [-5.0197379082947e-33, -8.681183882201821e-23, 3.564221984488621]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 4.36883865e-12 4.36883865e-12 4.36883865e-12 1.04436411e-27 -9.34892057e-35 -1.10520629e-50] energy per atom = -4.3680754772676655 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0