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 16:51:16 -17.598686 0.3888 BFGS: 1 16:51:16 -17.604735 0.3371 BFGS: 2 16:51:17 -17.622315 0.0196 BFGS: 3 16:51:17 -17.622371 0.0009 BFGS: 4 16:51:17 -17.622371 0.0000 BFGS: 5 16:51:17 -17.622371 0.0000 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 = [[0.0000000e+00 0.0000000e+00 0.0000000e+00] [4.8368095e-50 5.0000000e-01 5.0000000e-01] [5.0000000e-01 3.4036021e-36 5.0000000e-01] [5.0000000e-01 5.0000000e-01 0.0000000e+00]] cellpar = Cell([[3.5365656141519612, -9.309857329871818e-33, 1.2629655448907535e-34], [-1.1820551254014856e-33, 3.5365656141519612, -1.3375017991331515e-19], [-7.43419204278543e-33, -1.3375017991330785e-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 -5.61758831e-28 4.10625370e-35 4.43993636e-51] 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