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_KimJungLee_2010_FeNbC__MO_072689718616_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 -58.948466 0.210271 BFGS: 1 15:24:38 -58.950284 0.193200 BFGS: 2 15:24:38 -58.959996 0.003993 BFGS: 3 15:24:38 -58.960000 0.000074 BFGS: 4 15:24:38 -58.960000 0.000000 BFGS: 5 15:24:38 -58.960000 0.000000 Minimization converged after 5 steps. Maximum force component: 6.575545831125721e-32 eV/Angstrom Maximum stress component: 3.2701979739403415e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[0.00000000e+00 1.47654861e-33 0.00000000e+00] [1.47654433e-33 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00] [5.00000000e-01 1.92919118e-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([[3.5564777043860274, -1.940602375024317e-34, 3.5003853325855367e-35], [-1.9857863364129378e-34, 3.5564777043860274, -2.001646463203065e-20], [-9.470606334847091e-35, -2.0016464632030567e-20, 3.5564777043860274]]) forces = [[-1.09592431e-32 -3.65308102e-33 7.30616203e-33] [ 1.27857836e-32 3.11555275e-32 -2.55715671e-32] [-1.09592431e-32 2.19184861e-32 1.46123241e-32] [ 3.10511886e-32 -1.82654051e-32 -7.30616203e-33] [-1.46123241e-32 -3.65308102e-33 2.00919456e-32] [ 6.57554583e-32 -4.38369722e-32 -2.73981076e-33] [-5.11431342e-32 -2.19184861e-32 1.09592431e-32] [-1.82654051e-32 3.65308102e-33 -1.27857836e-32]] stress = [-3.27019797e-14 -3.27019797e-14 -3.27019797e-14 3.16756154e-30 -4.94596927e-65 -2.71344037e-64] energy per atom = -7.370000002075269 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0