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 17:29:16 -34.671019 0.2513 BFGS: 1 17:29:16 -34.673637 0.2347 BFGS: 2 17:29:16 -34.691199 0.0019 BFGS: 3 17:29:16 -34.691200 0.0000 BFGS: 4 17:29:16 -34.691200 0.0000 Minimization converged after 4 steps. Maximum force component: 2.9008037222218378e-31 eV/Angstrom Maximum stress component: 2.531860109697447e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 1.02716264e-33 1.32073248e-34] [3.85185989e-34 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00] [5.00000000e-01 6.42750931e-35 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([[5.430949779129297, 2.269689548849612e-33, 2.8343808388903156e-34], [2.269688882069242e-33, 5.430949779129297, 8.884273582318706e-21], [1.7356236662186627e-34, 8.884273582318782e-21, 5.430949779129297]]) forces = [[ 1.11569374e-32 8.36770304e-32 -1.11569374e-31] [ 5.57846870e-32 2.00824873e-31 -1.11569374e-32] [-1.17664125e-64 -2.90080372e-31 1.11569374e-31] [ 3.37084153e-65 7.80985618e-32 3.34708122e-32] [ 8.92554991e-32 4.46277496e-32 -5.29954526e-32] [-1.11569374e-32 -2.19014253e-52 -1.33883249e-31] [ 6.41523900e-32 -1.28304780e-31 1.28304780e-31] [-7.89914424e-66 -2.23138748e-32 4.46277496e-32]] stress = [ 2.53186011e-10 2.53186011e-10 2.53186011e-10 -6.46457923e-28 -5.57195529e-34 2.54492701e-51] 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