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_LeeShimBaskes_2003_Cu__MO_087820130586_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 01:20:16 -14.159976 0.011126 BFGS: 1 01:20:16 -14.159981 0.009884 BFGS: 2 01:20:16 -14.160000 0.000021 BFGS: 3 01:20:17 -14.160000 0.000000 BFGS: 4 01:20:17 -14.160000 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.3676130591957442e-14 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 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 1.30129163e-38]] cellpar = Cell([[3.6133156422458033, -6.937718651294097e-38, 4.597114863176931e-33], [-1.0407054475881309e-37, 3.6133156422458033, -7.56408460600501e-22], [2.5884058723537632e-33, -7.564084605925413e-22, 3.6133156422458033]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 1.36761306e-14 1.36761306e-14 1.36761306e-14 -6.07386629e-30 1.57346616e-34 -5.24094973e-50] energy per atom = -3.5400000001349903 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0