element(s): ['Si'] AFLOW prototype label: A_hP1_191_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: ['2.6513', '0.93471127'] 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 = 191 cell = [[2.6513, 0, 0], [-1.32565, 2.2960931530537, 0], [0, 0, 2.4782]] ========================================= Step Time Energy fmax BFGS: 0 14:40:11 -3.267402 9.1804 BFGS: 1 14:40:11 -3.892341 2.3791 BFGS: 2 14:40:11 -3.958004 0.3403 BFGS: 3 14:40:11 -3.959413 0.0573 BFGS: 4 14:40:11 -3.959452 0.0126 BFGS: 5 14:40:11 -3.959454 0.0018 BFGS: 6 14:40:11 -3.959455 0.0001 BFGS: 7 14:40:11 -3.959455 0.0000 BFGS: 8 14:40:11 -3.959455 0.0000 BFGS: 9 14:40:11 -3.959455 0.0000 Minimization converged after 9 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.685871122259297e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si'] basis = [[0. 0. 0.]] cellpar = Cell([[2.832436626848811, -1.409596631956023e-17, -9.295093413696024e-39], [-1.4162183134244055, 2.452962073460574, 4.8840280052032605e-36], [-1.4373265672621809e-36, -2.0560317342282952e-35, 2.5991016172595143]]) forces = [[0. 0. 0.]] stress = [-6.68587112e-11 -6.68587112e-11 5.75064322e-11 -1.11144882e-45 -1.98963323e-46 -8.29770394e-27] energy per atom = -3.9594545119179756 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0