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_ChoiKimSeol_2017_CoCr__MO_410167849923_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 16:51:16 -17.622315 0.0196 BFGS: 3 16:51:16 -17.622371 0.0009 BFGS: 4 16:51:16 -17.622371 0.0000 BFGS: 5 16:51:16 -17.622371 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.385168801495854e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co', 'Co', 'Co'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [1.93472380e-49 5.00000000e-01 5.00000000e-01] [5.00000000e-01 1.70180105e-36 5.00000000e-01] [5.00000000e-01 5.00000000e-01 1.70180105e-36]] cellpar = Cell([[3.5365656077647074, -2.2542264196667895e-33, -2.0273712975412168e-33], [-8.277719463756698e-33, 3.5365656077647074, -5.843512448250677e-20], [1.2979114738729958e-33, -5.843512448251077e-20, 3.5365656077647074]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-2.38516880e-11 -2.38516880e-11 -2.38516880e-11 -4.15979122e-28 1.37676604e-60 -1.26237643e-59] energy per atom = -4.405592724912101 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0