element(s): ['Co', 'Ni'] AFLOW prototype label: A3B_cP4_221_c_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.6559'] model name: MEAM_LAMMPS_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Co', 'Ni'] representative atom coordinates = [[0. 0.5 0.5] [0. 0. 0. ]] spacegroup = 221 cell = [[3.6559, 0, 0], [0, 3.6559, 0], [0, 0, 3.6559]] ========================================= Step Time Energy fmax BFGS: 0 18:16:14 -17.428051 1.3073 BFGS: 1 18:16:14 -17.497243 1.1612 BFGS: 2 18:16:14 -17.639530 0.7244 BFGS: 3 18:16:14 -17.710907 0.2144 BFGS: 4 18:16:14 -17.716994 0.0239 BFGS: 5 18:16:14 -17.717067 0.0007 BFGS: 6 18:16:14 -17.717067 0.0000 BFGS: 7 18:16:14 -17.717067 0.0000 Minimization converged after 7 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.4850293705513033e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co', 'Co', 'Ni'] basis = [[0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 6.07359624e-17 5.00000000e-01] [5.00000000e-01 5.00000000e-01 6.07359624e-17] [1.61393556e-65 6.07359624e-17 6.07359624e-17]] cellpar = Cell([[3.53009177033953, 5.52718794592007e-33, 1.721464597056744e-32], [-2.3253035589391955e-33, 3.53009177033953, 1.532976665423624e-19], [9.09425271561209e-33, 1.532976665423708e-19, 3.53009177033953]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-1.48502937e-11 -1.48502937e-11 -1.48502937e-11 9.57214797e-27 2.47279707e-34 -6.43075840e-50] energy per atom = -4.42926684003883 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0