element(s): ['C'] AFLOW prototype label: A_cP1_221_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['1.774'] model name: MEAM_LAMMPS_NouranianTschoppGwaltney_2014_CH__MO_354152387712_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['C'] representative atom coordinates = [[0 0 0]] spacegroup = 221 cell = [[1.774, 0, 0], [0, 1.774, 0], [0, 0, 1.774]] ========================================= Step Time Energy fmax BFGS: 0 21:18:02 -8.337886 2.248034 BFGS: 1 21:18:02 -8.487659 0.782392 BFGS: 2 21:18:03 -8.503079 0.209430 BFGS: 3 21:18:03 -8.504136 0.013493 BFGS: 4 21:18:03 -8.504141 0.000212 BFGS: 5 21:18:03 -8.504141 0.000000 BFGS: 6 21:18:03 -8.504141 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 7.059313923220956e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C'] basis = [[0. 0. 0.]] cellpar = Cell([[1.6926426374276646, -2.692635713369335e-33, -2.204021311782723e-33], [3.98447351932976e-33, 1.6926426374276646, -1.8867465873156842e-19], [3.216932978213685e-33, -1.886746587315646e-19, 1.6926426374276646]]) forces = [[0. 0. 0.]] stress = [ 7.05931392e-13 7.05931392e-13 7.05931392e-13 1.34734463e-29 -3.00643994e-38 -2.11080578e-54] energy per atom = -8.504140668530491 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0