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_EtesamiAsadi_2018_Cu__MO_227887284491_002 ==== 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 20:57:39 -14.159572 0.047895 BFGS: 1 20:57:40 -14.159664 0.042374 BFGS: 2 20:57:40 -14.160000 0.000324 BFGS: 3 20:57:40 -14.160000 0.000002 BFGS: 4 20:57:40 -14.160000 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 9.906508768125276e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu', 'Cu', 'Cu'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[3.6199999949924258, -8.920522686634415e-35, 1.122204106920218e-34], [-4.483889880852348e-35, 3.6199999949924258, 1.688397739085177e-24], [-2.7720031412726176e-34, 1.688397739431029e-24, 3.6199999949924258]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-9.90650877e-12 -9.90650877e-12 -9.90650877e-12 -2.64764682e-27 2.74340621e-34 1.76496570e-51] energy per atom = -3.540000000042575 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0