element(s): ['Si'] AFLOW prototype label: A_tI4_141_a Parameter names: ['a', 'c/a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.8146', '0.54949529'] model name: MEAM_LAMMPS_Wagner_2007_SiC__MO_430846853065_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si'] representative atom coordinates = [[0 0 0]] spacegroup = 141 cell = [[4.8146, 0, 0], [0, 4.8146, 0], [0, 0, 2.6456]] ========================================= Step Time Energy fmax BFGS: 0 09:48:04 -17.029682 1.290526 BFGS: 1 09:48:04 -17.094153 1.057668 BFGS: 2 09:48:04 -17.206185 0.476338 BFGS: 3 09:48:04 -17.236104 0.062844 BFGS: 4 09:48:04 -17.236493 0.021165 BFGS: 5 09:48:04 -17.236507 0.022064 BFGS: 6 09:48:04 -17.236536 0.016375 BFGS: 7 09:48:04 -17.236549 0.006891 BFGS: 8 09:48:04 -17.236552 0.001200 BFGS: 9 09:48:04 -17.236552 0.000166 BFGS: 10 09:48:04 -17.236552 0.000013 BFGS: 11 09:48:04 -17.236552 0.000001 BFGS: 12 09:48:04 -17.236552 0.000000 Minimization converged after 12 steps. Maximum force component: 7.847286365375748e-33 eV/Angstrom Maximum stress component: 3.319128003665667e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si'] basis = [[7.17438544e-35 1.49875530e-36 0.00000000e+00] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [2.41204123e-35 5.00000000e-01 2.50000000e-01] [5.00000000e-01 6.54528757e-36 7.50000000e-01]] cellpar = Cell([[4.953202415428601, 2.250967348612834e-36, 5.845557930883417e-42], [1.624283199640073e-36, 4.953202415428601, -2.728654602809265e-22], [-5.8397422001663707e-39, -1.498299667231545e-22, 2.716362689530912]]) forces = [[-3.81580834e-33 -1.90790417e-33 1.05103952e-55] [-1.90790417e-33 1.43092813e-33 -7.32413394e-33] [ 1.90790417e-33 3.81580834e-33 -2.10207904e-55] [-1.90790417e-33 4.76976043e-34 7.84728637e-33]] stress = [-3.31912800e-10 -3.31912800e-10 -2.82333171e-10 -1.73315767e-28 -5.31013530e-49 4.97895363e-63] energy per atom = -4.309138105194156 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0