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 18:27:03 -17.309497 1.471238 BFGS: 1 18:27:03 -17.397183 1.308196 BFGS: 2 18:27:03 -17.561349 0.870031 BFGS: 3 18:27:03 -17.654597 0.359282 BFGS: 4 18:27:03 -17.671226 0.051389 BFGS: 5 18:27:03 -17.671549 0.002423 BFGS: 6 18:27:03 -17.671550 0.000015 BFGS: 7 18:27:04 -17.671550 0.000000 Minimization converged after 7 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.8656216806318266e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co', 'Co', 'Fe'] basis = [[1.19923731e-50 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00] [0.00000000e+00 0.00000000e+00 0.00000000e+00]] cellpar = Cell([[3.5659527085086284, 2.607705970162442e-33, -9.021956930268598e-34], [2.6751136743273925e-34, 3.5659527085086284, 8.796116289102421e-20], [-1.0905596051368873e-34, 8.796116289102392e-20, 3.5659527085086284]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-3.86562168e-10 -3.86562168e-10 -3.86562168e-10 2.36019012e-26 1.61554125e-34 -1.14942067e-50] energy per atom = -4.417887390194095 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0