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_Wagner_2007_SiC__MO_430846853065_001 ==== 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 15:39:42 -58.958563 0.074907 BFGS: 1 15:39:42 -58.958793 0.068667 BFGS: 2 15:39:42 -58.960000 0.000487 BFGS: 3 15:39:42 -58.960000 0.000003 BFGS: 4 15:39:42 -58.960000 0.000000 Minimization converged after 4 steps. Maximum force component: 1.465555649668014e-30 eV/Angstrom Maximum stress component: 2.4982685042199788e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[2.42025196e-32 5.00741786e-33 1.26202952e-32] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 1.12642875e-32] [5.00000000e-01 2.24049817e-32 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([[3.5669999980214984, -1.118626038258463e-34, -2.6048037957150337e-34], [1.7277933879382464e-33, 3.5669999980214984, -8.231520187098511e-21], [-3.956792656961161e-34, -8.231520187098511e-21, 3.5669999980214984]]) forces = [[-6.13701428e-32 7.69416716e-32 -2.93111130e-31] [ 7.03466712e-31 -3.51733356e-31 3.95700025e-31] [-5.86222260e-32 -5.86222260e-31 -2.05177791e-31] [ 1.75866678e-31 1.46555565e-32 1.46555565e-32] [-5.86222260e-32 -1.75866678e-31 1.02588895e-31] [-5.86222260e-32 -1.11382229e-30 1.75866678e-31] [-7.03466712e-31 1.75866678e-31 -4.39666695e-32] [ 1.75866678e-31 -3.22422243e-31 -1.46555565e-30]] stress = [2.49826850e-11 2.49826850e-11 2.49826850e-11 1.24812972e-27 3.87502254e-33 2.34207664e-49] energy per atom = -7.369999999995966 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0