element(s): ['Si'] AFLOW prototype label: A_tI4_141_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: ['4.8146', '0.54949529'] 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 = 141 cell = [[4.8146, 0, 0], [0, 4.8146, 0], [0, 0, 2.6456]] ========================================= Step Time Energy fmax BFGS: 0 17:25:15 -15.073825 7.982245 BFGS: 1 17:25:15 -15.748277 5.720073 BFGS: 2 17:25:15 -16.202529 3.646326 BFGS: 3 17:25:15 -16.460248 1.778479 BFGS: 4 17:25:15 -16.545315 0.228510 BFGS: 5 17:25:15 -16.546437 0.052786 BFGS: 6 17:25:15 -16.546496 0.033189 BFGS: 7 17:25:15 -16.546663 0.043793 BFGS: 8 17:25:15 -16.546802 0.035402 BFGS: 9 17:25:15 -16.546872 0.017523 BFGS: 10 17:25:15 -16.546882 0.004092 BFGS: 11 17:25:15 -16.546883 0.000266 BFGS: 12 17:25:15 -16.546883 0.000015 BFGS: 13 17:25:15 -16.546883 0.000001 BFGS: 14 17:25:15 -16.546883 0.000000 BFGS: 15 17:25:15 -16.546883 0.000000 Minimization converged after 15 steps. Maximum force component: 4.288646529689788e-31 eV/Angstrom Maximum stress component: 1.6939956025718014e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si'] basis = [[2.73387729e-33 0.00000000e+00 0.00000000e+00] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [0.00000000e+00 5.00000000e-01 2.50000000e-01] [5.00000000e-01 0.00000000e+00 7.50000000e-01]] cellpar = Cell([[4.970519174882717, -9.052838030311093e-37, -2.2016642792607603e-36], [-1.6537784813733069e-37, 4.9705191748827176, 5.441124547101469e-18], [-2.3415098789663163e-40, 2.964559554257231e-18, 2.7872744776865064]]) forces = [[-1.53165947e-31 -1.83799137e-31 -2.01201114e-49] [-3.36965084e-31 -6.12663790e-32 -2.95245246e-33] [ 1.22306362e-68 -3.67598274e-31 -4.02402228e-49] [-9.18995685e-32 4.28864653e-31 -8.58895261e-33]] stress = [-8.09748816e-12 -8.09748816e-12 -1.69399560e-11 -3.83434549e-27 -2.32755706e-52 -5.77045537e-66] energy per atom = -4.136720714817925 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0