element(s): ['Si'] AFLOW prototype label: A_cI16_206_c Parameter names: ['a', 'x1'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['6.657', '0.10135586'] model name: SW_StillingerWeber_1985_Si__MO_405512056662_006 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si'] representative atom coordinates = [[0.10135586 0.10135586 0.10135586]] spacegroup = 206 cell = [[6.657, 0, 0], [0, 6.657, 0], [0, 0, 6.657]] ========================================= Step Time Energy fmax BFGS: 0 15:52:28 -66.315487 0.262098 BFGS: 1 15:52:28 -66.320590 0.246846 BFGS: 2 15:52:28 -66.335658 0.158272 BFGS: 3 15:52:28 -66.338263 0.148483 BFGS: 4 15:52:28 -66.359726 0.081146 BFGS: 5 15:52:28 -66.372450 0.044550 BFGS: 6 15:52:28 -66.374624 0.008438 BFGS: 7 15:52:28 -66.374666 0.003005 BFGS: 8 15:52:28 -66.374673 0.000006 BFGS: 9 15:52:28 -66.374673 0.000000 BFGS: 10 15:52:28 -66.374673 0.000000 Minimization converged after 10 steps. Maximum force component: 1.0790132500513176e-12 eV/Angstrom Maximum stress component: 9.412884173973621e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.10160265 0.10160265 0.10160265] [0.39839735 0.89839735 0.60160265] [0.89839735 0.60160265 0.39839735] [0.60160265 0.39839735 0.89839735] [0.60160265 0.60160265 0.60160265] [0.89839735 0.39839735 0.10160265] [0.39839735 0.10160265 0.89839735] [0.10160265 0.89839735 0.39839735] [0.89839735 0.89839735 0.89839735] [0.60160265 0.10160265 0.39839735] [0.10160265 0.39839735 0.60160265] [0.39839735 0.60160265 0.10160265] [0.39839735 0.39839735 0.39839735] [0.10160265 0.60160265 0.89839735] [0.60160265 0.89839735 0.10160265] [0.89839735 0.10160265 0.60160265]] cellpar = Cell([[6.591274388026488, -2.554095557863644e-40, 0.0], [4.991092429232774e-38, 6.591274388026488, 0.0], [0.0, 0.0, 6.591274388026488]]) forces = [[-1.07901325e-12 -1.07901325e-12 -1.07901325e-12] [ 1.07901325e-12 1.07901325e-12 -1.07901325e-12] [ 1.07901325e-12 -1.07901325e-12 1.07901325e-12] [-1.07901325e-12 1.07901325e-12 1.07901325e-12] [-1.07901325e-12 -1.07901325e-12 -1.07901325e-12] [ 1.07901325e-12 1.07901325e-12 -1.07901325e-12] [ 1.07901325e-12 -1.07901325e-12 1.07901325e-12] [-1.07901325e-12 1.07901325e-12 1.07901325e-12] [ 1.07901325e-12 1.07901325e-12 1.07901325e-12] [-1.07901325e-12 -1.07901325e-12 1.07901325e-12] [-1.07901325e-12 1.07901325e-12 -1.07901325e-12] [ 1.07901325e-12 -1.07901325e-12 -1.07901325e-12] [ 1.07901325e-12 1.07901325e-12 1.07901325e-12] [-1.07901325e-12 -1.07901325e-12 1.07901325e-12] [-1.07901325e-12 1.07901325e-12 -1.07901325e-12] [ 1.07901325e-12 -1.07901325e-12 -1.07901325e-12]] stress = [ 9.41288417e-14 9.41288417e-14 9.41288417e-14 0.00000000e+00 0.00000000e+00 -1.15133735e-67] energy per atom = -4.148417050430944 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0