element(s): ['C'] AFLOW prototype label: A_cF8_227_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.5727'] model name: MEAM_LAMMPS_AgrawalMirzaeifar_2021_CuC__MO_028979335952_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['C'] representative atom coordinates = [[0 0 0]] spacegroup = 227 cell = [[3.5727, 0, 0], [0, 3.5727, 0], [0, 0, 3.5727]] ========================================= Step Time Energy fmax BFGS: 0 15:39:42 -58.942384 0.071401 BFGS: 1 15:39:42 -58.942593 0.065405 BFGS: 2 15:39:42 -58.943682 0.000231 BFGS: 3 15:39:42 -58.943682 0.000001 BFGS: 4 15:39:42 -58.943682 0.000000 Minimization converged after 4 steps. Maximum force component: 3.004636029834845e-31 eV/Angstrom Maximum stress component: 1.4168498744315485e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[0.00000000e+00 3.85185989e-33 4.34142367e-33] [1.43854401e-49 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 2.37718344e-33] [5.00000000e-01 2.56783051e-33 5.00000000e-01] [7.50000000e-01 2.50000000e-01 7.50000000e-01] [2.50000000e-01 2.50000000e-01 2.50000000e-01] [2.50000000e-01 7.50000000e-01 7.50000000e-01] [7.50000000e-01 7.50000000e-01 2.50000000e-01]] cellpar = Cell([[3.56729319026342, 1.2057411643642182e-33, -5.636901658233064e-35], [-2.3080119459455957e-33, 3.56729319026342, 3.756492065831242e-21], [7.543484192580879e-36, 3.756492065831251e-21, 3.56729319026342]]) forces = [[-1.26414565e-31 -6.22912348e-32 -2.93135222e-32] [ 9.89331376e-32 5.86270445e-32 -6.59554250e-32] [-7.32838056e-32 -2.93135222e-31 -2.78478461e-31] [-8.79405667e-32 1.02597328e-31 -7.32838056e-32] [-1.46567611e-31 1.17254089e-31 3.00463603e-31] [ 1.52063897e-31 5.86270445e-32 2.93135222e-32] [ 8.42763764e-32 -2.93135222e-32 2.19851417e-32] [ 5.86270445e-32 -4.30542358e-32 1.90537895e-31]] stress = [1.41684987e-12 1.41684987e-12 1.41684987e-12 2.00296588e-29 3.87768680e-63 7.39164499e-62] energy per atom = -7.367960243322744 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0