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_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_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 17:29:26 -4.695439 2.671289 BFGS: 1 17:29:26 -4.903024 1.047797 BFGS: 2 17:29:26 -4.950246 0.259375 BFGS: 3 17:29:26 -4.953801 0.035805 BFGS: 4 17:29:26 -4.953873 0.001488 BFGS: 5 17:29:26 -4.953873 0.000009 BFGS: 6 17:29:26 -4.953873 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.6218757100830944e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C'] basis = [[0. 0. 0.]] cellpar = Cell([[1.9021664999646168, -1.3725378364273348e-33, -3.852073538082397e-33], [-4.71861475443137e-33, 1.9021664999646168, -2.4853888417043783e-19], [-1.7068138611368417e-33, -2.485388841704394e-19, 1.9021664999646168]]) forces = [[0. 0. 0.]] stress = [-3.62187571e-10 -3.62187571e-10 -3.62187571e-10 1.63365555e-25 -6.15570559e-36 1.07993516e-51] energy per atom = -4.953873289485596 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0