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: MEAM_LAMMPS_Lee_2007_Si__MO_774917820956_001 ==== 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 17:25:26 -16.748917 2.165410 BFGS: 1 17:25:26 -16.872418 1.704706 BFGS: 2 17:25:26 -17.016357 1.045518 BFGS: 3 17:25:26 -17.099261 0.483087 BFGS: 4 17:25:26 -17.128660 0.193899 BFGS: 5 17:25:26 -17.129749 0.129938 BFGS: 6 17:25:26 -17.130057 0.079225 BFGS: 7 17:25:27 -17.130284 0.018849 BFGS: 8 17:25:27 -17.130321 0.004825 BFGS: 9 17:25:27 -17.130324 0.000839 BFGS: 10 17:25:27 -17.130324 0.000068 BFGS: 11 17:25:27 -17.130324 0.000001 BFGS: 12 17:25:27 -17.130324 0.000000 BFGS: 13 17:25:27 -17.130324 0.000000 Minimization converged after 13 steps. Maximum force component: 4.801220382884688e-32 eV/Angstrom Maximum stress component: 2.1928238745685873e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 2.92221625e-37 0.00000000e+00] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [4.32665122e-34 5.00000000e-01 2.50000000e-01] [5.00000000e-01 7.83950046e-34 7.50000000e-01]] cellpar = Cell([[5.036234648724353, -1.3462097753691045e-36, -3.061497698062035e-41], [-2.985580213909815e-36, 5.036234648724352, 4.360441170884151e-19], [-3.7320965285946753e-38, 2.2595684910949486e-19, 2.5954258227984055]]) forces = [[-1.55190962e-32 4.26775145e-32 3.69507786e-51] [-4.80122038e-32 -7.75954809e-33 1.59955466e-32] [ 2.66734466e-32 -3.78277970e-32 -3.27518265e-51] [ 4.65572886e-32 -6.96283299e-52 -7.99777330e-33]] stress = [-2.19282387e-11 -2.19282387e-11 2.83996774e-12 2.32732850e-30 -2.35746846e-34 -9.91000695e-53] energy per atom = -4.282581069662059 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0