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 17:55:23 -3.267402 9.180416 BFGS: 1 17:55:23 -3.892341 2.379117 BFGS: 2 17:55:23 -3.958004 0.340265 BFGS: 3 17:55:23 -3.959413 0.057337 BFGS: 4 17:55:23 -3.959452 0.012621 BFGS: 5 17:55:23 -3.959454 0.001762 BFGS: 6 17:55:23 -3.959455 0.000096 BFGS: 7 17:55:23 -3.959455 0.000003 BFGS: 8 17:55:23 -3.959455 0.000000 BFGS: 9 17:55:23 -3.959455 0.000000 Minimization converged after 9 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.686072473981241e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si'] basis = [[0. 0. 0.]] cellpar = Cell([[2.8324366268488097, 2.3146305885809877e-17, 3.0037430160190376e-40], [-1.4162183134244049, 2.452962073460574, 7.72926833034185e-37], [1.4156958426817847e-36, 4.082290888270481e-36, 2.5991016172595143]]) forces = [[0. 0. 0.]] stress = [-6.68607247e-11 -6.68607247e-11 5.75062484e-11 2.29733057e-46 8.58938443e-47 -2.12539642e-26] energy per atom = -3.959454511917974 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0