element(s): ['C'] AFLOW prototype label: A_cI16_206_c Parameter names: ['a', 'x1'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.4773', '0.15607601'] model name: MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['C'] representative atom coordinates = [[0.15607601 0.15607601 0.15607601]] spacegroup = 206 cell = [[4.4773, 0, 0], [0, 4.4773, 0], [0, 0, 4.4773]] ========================================= Step Time Energy fmax BFGS: 0 16:36:29 -84.693569 30.373277 BFGS: 1 16:36:29 -100.312953 11.085243 BFGS: 2 16:36:30 -104.076302 5.669344 BFGS: 3 16:36:30 -105.979901 2.524892 BFGS: 4 16:36:30 -106.668982 1.160564 BFGS: 5 16:36:30 -106.933194 0.510136 BFGS: 6 16:36:30 -107.023968 0.218149 BFGS: 7 16:36:30 -107.054110 0.148775 BFGS: 8 16:36:30 -107.064274 0.156813 BFGS: 9 16:36:30 -107.068574 0.152209 BFGS: 10 16:36:30 -107.071432 0.137706 BFGS: 11 16:36:30 -107.074069 0.110376 BFGS: 12 16:36:30 -107.076184 0.072469 BFGS: 13 16:36:30 -107.077379 0.041814 BFGS: 14 16:36:30 -107.078644 0.019080 BFGS: 15 16:36:30 -107.080778 0.023315 BFGS: 16 16:36:30 -107.081025 0.007503 BFGS: 17 16:36:30 -107.081061 0.001112 BFGS: 18 16:36:30 -107.081064 0.000511 BFGS: 19 16:36:30 -107.081065 0.000038 BFGS: 20 16:36:30 -107.081065 0.000002 BFGS: 21 16:36:30 -107.081065 0.000000 Minimization converged after 21 steps. Maximum force component: 2.1209335766693588e-09 eV/Angstrom Maximum stress component: 7.371239510233747e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[0.12989918 0.12989918 0.12989918] [0.37010082 0.87010082 0.62989918] [0.87010082 0.62989918 0.37010082] [0.62989918 0.37010082 0.87010082] [0.62989918 0.62989918 0.62989918] [0.87010082 0.37010082 0.12989918] [0.37010082 0.12989918 0.87010082] [0.12989918 0.87010082 0.37010082] [0.87010082 0.87010082 0.87010082] [0.62989918 0.12989918 0.37010082] [0.12989918 0.37010082 0.62989918] [0.37010082 0.62989918 0.12989918] [0.37010082 0.37010082 0.37010082] [0.12989918 0.62989918 0.87010082] [0.62989918 0.87010082 0.12989918] [0.87010082 0.12989918 0.62989918]] cellpar = Cell([[4.466165266317335, -3.2033669671081414e-36, 0.0], [4.603132156052722e-36, 4.466165266317335, 0.0], [0.0, 0.0, 4.466165266317335]]) forces = [[ 2.12093358e-09 2.12093358e-09 2.12093358e-09] [-2.12093358e-09 -2.12093358e-09 2.12093358e-09] [-2.12093358e-09 2.12093358e-09 -2.12093358e-09] [ 2.12093358e-09 -2.12093358e-09 -2.12093358e-09] [ 2.12093358e-09 2.12093358e-09 2.12093358e-09] [-2.12093358e-09 -2.12093358e-09 2.12093358e-09] [-2.12093358e-09 2.12093358e-09 -2.12093358e-09] [ 2.12093358e-09 -2.12093358e-09 -2.12093358e-09] [-2.12093358e-09 -2.12093358e-09 -2.12093358e-09] [ 2.12093358e-09 2.12093358e-09 -2.12093358e-09] [ 2.12093358e-09 -2.12093358e-09 2.12093358e-09] [-2.12093358e-09 2.12093358e-09 2.12093358e-09] [-2.12093358e-09 -2.12093358e-09 -2.12093358e-09] [ 2.12093358e-09 2.12093358e-09 -2.12093358e-09] [ 2.12093358e-09 -2.12093358e-09 2.12093358e-09] [-2.12093358e-09 2.12093358e-09 2.12093358e-09]] stress = [ 7.37123951e-10 7.37123951e-10 7.37123951e-10 0.00000000e+00 0.00000000e+00 -1.64785735e-33] energy per atom = -6.692566540639603 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0