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_KangEunJun_2014_SiC__MO_477506997611_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 16:25:59 -58.948466 0.210270 BFGS: 1 16:25:59 -58.950284 0.193200 BFGS: 2 16:25:59 -58.959996 0.003996 BFGS: 3 16:25:59 -58.960000 0.000074 BFGS: 4 16:25:59 -58.960000 0.000000 BFGS: 5 16:25:59 -58.960000 0.000000 Minimization converged after 5 steps. Maximum force component: 1.0959242908246976e-31 eV/Angstrom Maximum stress component: 3.288374766685596e-14 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] [4.49368225e-34 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00] [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([[3.5564776577756785, 1.3843613874710104e-40, 1.0978301650302938e-34], [4.989976312912078e-35, 3.5564776577756785, 6.775774754235342e-20], [-2.276847099738783e-34, 6.775774754235351e-20, 3.5564776577756785]]) forces = [[-2.19184858e-32 -6.02758360e-32 3.65308097e-32] [-3.65308097e-32 -1.46123239e-32 -1.09592429e-31] [-3.47042692e-32 -2.00919453e-32 2.73981073e-32] [ 5.11431336e-32 1.09592429e-32 -2.92246478e-32] [-2.92246478e-32 7.05501262e-32 9.13270242e-33] [ 3.56175395e-32 6.39289170e-33 1.09592429e-32] [-4.01838907e-32 -6.94085384e-32 2.19184858e-32] [-2.19184858e-32 5.99333597e-33 6.43855521e-32]] stress = [-3.28837477e-14 -3.28837477e-14 -3.28837477e-14 1.48042705e-29 4.65267922e-64 -1.27935410e-64] energy per atom = -7.369999999999999 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0