element(s): ['Co', 'Fe'] 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: ['3.7068'] model name: MEAM_LAMMPS_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Co', 'Fe'] representative atom coordinates = [[0. 0.5 0.5] [0. 0. 0. ]] spacegroup = 221 cell = [[3.7068, 0, 0], [0, 3.7068, 0], [0, 0, 3.7068]] ========================================= Step Time Energy fmax BFGS: 0 10:27:17 -17.309497 1.471238 BFGS: 1 10:27:18 -17.397183 1.308196 BFGS: 2 10:27:20 -17.561349 0.870031 BFGS: 3 10:27:20 -17.654597 0.359282 BFGS: 4 10:27:20 -17.671226 0.051389 BFGS: 5 10:27:20 -17.671549 0.002423 BFGS: 6 10:27:20 -17.671550 0.000015 BFGS: 7 10:27:20 -17.671550 0.000000 Minimization converged after 7 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.865617293903833e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co', 'Co', 'Fe'] basis = [[3.83755939e-49 5.00000000e-01 5.00000000e-01] [5.00000000e-01 1.35022118e-35 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00] [0.00000000e+00 0.00000000e+00 0.00000000e+00]] cellpar = Cell([[3.565952708508629, 7.52616135249859e-33, -9.794340644837599e-34], [7.902553622946868e-33, 3.565952708508629, -7.883237741740581e-19], [1.801233925646589e-33, -7.8832377417406e-19, 3.565952708508629]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-3.86561729e-10 -3.86561729e-10 -3.86561729e-10 -7.66218764e-27 -8.07770624e-35 -6.27103281e-53] energy per atom = -4.417887390194094 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0