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 20:41:10 -58.766569 0.074540 BFGS: 1 20:41:11 -58.766797 0.068371 BFGS: 2 20:41:11 -58.767999 0.000643 BFGS: 3 20:41:12 -58.767999 0.000005 BFGS: 4 20:41:12 -58.767999 0.000000 Minimization converged after 4 steps. Maximum force component: 1.9510225977600016e-31 eV/Angstrom Maximum stress component: 5.125411874596767e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [1.86173228e-33 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 2.69964722e-34] [5.00000000e-01 0.00000000e+00 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, -9.946084382879598e-34, -2.1189651699060927e-35], [-1.7277444360156097e-33, 3.567002994816801, -1.183376912882036e-18], [-9.442202410234956e-36, -1.1833769128820354e-18, 3.567002994816801]]) forces = [[ 5.86222752e-32 2.56472454e-32 8.79334129e-32] [-2.93111376e-32 -1.17244550e-31 5.86222752e-32] [ 2.93111376e-32 7.32778440e-32 5.86222752e-32] [ 2.93111376e-32 6.59500596e-32 -5.86222752e-32] [-1.46555688e-31 -5.86222752e-32 -1.95102260e-31] [ 4.85465717e-32 2.93111376e-32 -8.79334129e-32] [-1.46555688e-31 8.79334129e-32 3.48069759e-32] [ 2.93111376e-32 -1.46555688e-32 5.86222752e-32]] stress = [ 5.12541187e-11 5.12541187e-11 5.12541187e-11 -3.63194161e-28 -3.22918002e-34 1.14102366e-51] 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