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_LeeLee_2005_C__MO_996970420049_001 ==== 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 14:14:23 -0.737226 16.9532 BFGS: 1 14:14:23 -2.634772 8.9325 BFGS: 2 14:14:23 -3.562293 3.8314 BFGS: 3 14:14:23 -3.844455 1.3349 BFGS: 4 14:14:23 -3.894118 0.3493 BFGS: 5 14:14:23 -3.898324 0.0487 BFGS: 6 14:14:23 -3.898412 0.0022 BFGS: 7 14:14:23 -3.898412 0.0000 BFGS: 8 14:14:23 -3.898412 0.0000 Minimization converged after 8 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.124202101567574e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C'] basis = [[0. 0. 0.]] cellpar = Cell([[2.0684118718319486, -2.09684171272749e-32, -2.9007223412317615e-33], [-1.6358704864360253e-32, 2.068411871831949, -1.967041914982988e-17], [5.98993854661542e-34, -1.9670419149829878e-17, 2.0684118718319486]]) forces = [[0. 0. 0.]] stress = [-6.12420210e-10 -6.12420210e-10 -6.12420210e-10 2.04088132e-26 -1.61947295e-35 5.13073615e-52] energy per atom = -3.8984121942304237 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0