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 09:47:51 -15.073825 7.982245 BFGS: 1 09:47:51 -15.748277 5.720073 BFGS: 2 09:47:51 -16.202529 3.646326 BFGS: 3 09:47:51 -16.460248 1.778479 BFGS: 4 09:47:51 -16.545315 0.228510 BFGS: 5 09:47:51 -16.546437 0.052786 BFGS: 6 09:47:51 -16.546496 0.033189 BFGS: 7 09:47:51 -16.546663 0.043793 BFGS: 8 09:47:51 -16.546802 0.035402 BFGS: 9 09:47:51 -16.546872 0.017523 BFGS: 10 09:47:51 -16.546882 0.004092 BFGS: 11 09:47:51 -16.546883 0.000266 BFGS: 12 09:47:51 -16.546883 0.000015 BFGS: 13 09:47:51 -16.546883 0.000001 BFGS: 14 09:47:51 -16.546883 0.000000 BFGS: 15 09:47:51 -16.546883 0.000000 Minimization converged after 15 steps. Maximum force component: 2.9292987457256132e-31 eV/Angstrom Maximum stress component: 1.6938986168638747e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si'] basis = [[1.01698367e-32 0.00000000e+00 1.46370721e-32] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [2.60233090e-34 5.00000000e-01 2.50000000e-01] [5.00000000e-01 7.98189393e-33 7.50000000e-01]] cellpar = Cell([[4.970519174882717, -1.2747600247273135e-36, 1.1925951703278506e-40], [-4.834860112998416e-38, 4.970519174882718, 7.354274397517532e-18], [3.778993345166141e-38, 4.034915136282144e-18, 2.787274477686507]]) forces = [[ 1.07216163e-31 -2.14432326e-31 -3.17269507e-49] [ 3.30264074e-32 -2.14432326e-31 8.58895261e-33] [-2.92929875e-31 9.18995685e-32 1.35972646e-49] [-1.37370709e-31 3.06331895e-32 8.58895261e-33]] stress = [-8.09673035e-12 -8.09673035e-12 -1.69389862e-11 1.65559425e-28 -1.11211316e-34 1.00245429e-51] energy per atom = -4.136720714817927 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0