element(s): ['Cu'] 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: ['3.6146'] model name: MEAM_LAMMPS_AsadiZaeemNouranian_2015_Cu__MO_390178379548_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cu'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.6146, 0, 0], [0, 3.6146, 0], [0, 0, 3.6146]] ========================================= Step Time Energy fmax BFGS: 0 15:10:03 -14.159508 0.051343 BFGS: 1 15:10:03 -14.159615 0.045419 BFGS: 2 15:10:03 -14.160000 0.000371 BFGS: 3 15:10:03 -14.160000 0.000003 BFGS: 4 15:10:03 -14.160000 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.397867054688852e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu', 'Cu', 'Cu'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 1.29875004e-38 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[3.6203867123889992, 9.932598004189808e-34, -2.3546721293392684e-34], [9.22123411728946e-34, 3.6203867123889992, 7.560501871730044e-22], [1.950251344770229e-34, 7.560501871718694e-22, 3.6203867123889992]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-1.39786705e-11 -1.39786705e-11 -1.39786705e-11 6.70824668e-29 4.89789315e-36 -4.23888604e-53] energy per atom = -3.5400000000402048 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0