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: MEAM_LAMMPS_KimJungLee_2015_NiAlCo__MO_876687166519_002 ==== 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 16:15:25 -17.598686 0.388796 BFGS: 1 16:15:25 -17.604735 0.337144 BFGS: 2 16:15:25 -17.622315 0.019628 BFGS: 3 16:15:25 -17.622371 0.000908 BFGS: 4 16:15:25 -17.622371 0.000002 BFGS: 5 16:15:25 -17.622371 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.376607819090415e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co', 'Co', 'Co'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [9.71140657e-50 5.00000000e-01 5.00000000e-01] [5.00000000e-01 3.40360210e-36 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[3.5365656141519612, -2.339280612738526e-33, 3.1624551966307714e-33], [-2.0292333712559655e-35, 3.5365656141519612, -1.3375017991331922e-19], [-6.001519859674774e-33, -1.337501799133119e-19, 3.5365656141519612]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-2.37660782e-11 -2.37660782e-11 -2.37660782e-11 -1.23246026e-26 4.10625370e-35 1.07656825e-50] energy per atom = -4.405592724875618 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0