element(s): ['Si'] 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: ['5.4673'] model name: MEAM_LAMMPS_HuangDongLiu_2018_Si__MO_050147023220_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si'] representative atom coordinates = [[0 0 0]] spacegroup = 227 cell = [[5.4673, 0, 0], [0, 5.4673, 0], [0, 0, 5.4673]] ========================================= Step Time Energy fmax BFGS: 0 15:28:26 -37.020845 0.237526 BFGS: 1 15:28:27 -37.023188 0.222867 BFGS: 2 15:28:27 -37.040000 0.001285 BFGS: 3 15:28:27 -37.040000 0.000045 BFGS: 4 15:28:27 -37.040000 0.000000 Minimization converged after 4 steps. Maximum force component: 2.00826713804277e-31 eV/Angstrom Maximum stress component: 4.5981055517295005e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[2.03506496e-32 0.00000000e+00 0.00000000e+00] [1.09136958e-33 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 7.14499766e-33] [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([[5.430999558311564, -3.163617371015977e-34, 4.1265153316526896e-35], [3.782850404592077e-34, 5.430999558311564, -4.445935143550872e-20], [4.849044691750955e-34, -4.445935143551152e-20, 5.430999558311564]]) forces = [[-1.22727436e-31 7.14900903e-66 -9.32492521e-67] [-3.34711190e-32 -6.69422379e-32 -1.45041516e-31] [-2.00826714e-31 8.92563172e-32 -1.11570397e-32] [-2.23140793e-32 1.33884476e-31 -1.09600763e-51] [ 2.00826714e-31 -8.92563172e-32 -4.30591999e-32] [ 8.92563172e-32 6.69422379e-32 8.92563172e-32] [ 1.11570397e-31 2.78925991e-32 1.46436145e-32] [-8.92563172e-32 4.46281586e-32 -2.23140793e-32]] stress = [ 4.59810555e-10 4.59810555e-10 4.59810555e-10 -7.07097099e-26 -5.57185314e-34 1.09844986e-50] energy per atom = -4.6300000281170535 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0