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: SW_StillingerWeber_1985_Si__MO_405512056662_006 ==== 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 16:28:23 -34.671019 0.251322 BFGS: 1 16:28:23 -34.673637 0.234661 BFGS: 2 16:28:23 -34.691199 0.001932 BFGS: 3 16:28:23 -34.691200 0.000035 BFGS: 4 16:28:23 -34.691200 0.000000 Minimization converged after 4 steps. Maximum force component: 1.2272631132477008e-31 eV/Angstrom Maximum stress component: 2.531862809434752e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 7.06174313e-34 1.06052792e-33] [5.13581319e-34 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 8.74085856e-34] [5.00000000e-01 1.21984153e-33 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([[5.430949779129298, 2.3075137371466956e-32, -7.667074126103886e-35], [-7.624515579933831e-34, 5.430949779129298, 1.9130217382955622e-20], [-2.9574247755078914e-34, 1.9130217382955625e-20, 5.430949779129298]]) forces = [[ 1.30745360e-32 1.73455511e-32 -4.46277496e-32] [ 2.78923435e-33 8.92554991e-32 5.57846870e-33] [ 6.69416244e-32 7.85993781e-53 2.23138748e-32] [ 2.23138748e-32 8.36770304e-32 -5.57846870e-33] [ 5.57846870e-32 1.22726311e-31 9.76232022e-33] [-3.48654294e-32 -7.85993781e-53 -2.23138748e-32] [ 1.67354061e-32 6.41523900e-32 3.34708122e-32] [-6.69416244e-32 -5.29954526e-32 2.23138748e-32]] stress = [ 2.53186281e-10 2.53186281e-10 2.53186281e-10 -3.04079521e-27 -6.82509710e-60 4.94414550e-60] energy per atom = -4.336399999917266 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0