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_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002 ==== 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 15:24:38 -58.766569 0.074540 BFGS: 1 15:24:38 -58.766797 0.068371 BFGS: 2 15:24:38 -58.767999 0.000643 BFGS: 3 15:24:38 -58.767999 0.000005 BFGS: 4 15:24:38 -58.767999 0.000000 Minimization converged after 4 steps. Maximum force component: 3.6638922023662005e-31 eV/Angstrom Maximum stress component: 5.125411874596769e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[3.85185989e-34 6.41998740e-35 0.00000000e+00] [6.41976648e-35 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00] [5.00000000e-01 3.50954139e-34 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([[3.567002994816801, 3.125826606228402e-35, -2.5372249997548277e-35], [2.975357589839474e-38, 3.567002994816801, -1.1645919276028349e-18], [-1.4067078065855696e-34, -1.1645919276028345e-18, 3.567002994816801]]) forces = [[ 2.93111376e-32 -3.44405867e-31 1.12445180e-49] [-3.59061436e-31 -1.31900119e-31 1.46555688e-32] [ 1.46555688e-32 8.79334129e-32 -8.06056285e-32] [-3.66389220e-31 -9.15973051e-32 -2.19833532e-32] [-1.46555688e-31 2.19833532e-32 2.47312724e-32] [ 6.32021405e-32 6.59500596e-32 -1.31900119e-31] [-1.68539041e-31 4.03028142e-32 -1.24572335e-31] [ 5.86222752e-32 2.93111376e-32 4.39667064e-32]] stress = [ 5.12541187e-11 5.12541187e-11 5.12541187e-11 2.79240148e-26 -4.84377003e-34 -1.27801330e-49] energy per atom = -7.345999915893082 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0