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 17:13:54 -16.748917 2.1654 BFGS: 1 17:13:54 -16.872418 1.7047 BFGS: 2 17:13:54 -17.016357 1.0455 BFGS: 3 17:13:54 -17.099261 0.4831 BFGS: 4 17:13:54 -17.128660 0.1939 BFGS: 5 17:13:54 -17.129749 0.1299 BFGS: 6 17:13:54 -17.130057 0.0792 BFGS: 7 17:13:54 -17.130284 0.0188 BFGS: 8 17:13:54 -17.130321 0.0048 BFGS: 9 17:13:54 -17.130324 0.0008 BFGS: 10 17:13:54 -17.130324 0.0001 BFGS: 11 17:13:54 -17.130324 0.0000 BFGS: 12 17:13:54 -17.130324 0.0000 BFGS: 13 17:13:54 -17.130324 0.0000 Minimization converged after 13 steps. Maximum force component: 6.983593284195912e-32 eV/Angstrom Maximum stress component: 2.192762146998653e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si'] basis = [[2.16608606e-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([[5.036234648724354, 4.726966180989203e-39, 7.088176909927338e-39], [-7.929658573353443e-38, 5.036234648724355, -3.453973945119195e-18], [-1.996848703678493e-37, -1.7794035051736728e-18, 2.595425822798404]]) forces = [[ 1.55190962e-32 -3.87977405e-32 2.66084474e-50] [ 6.20763847e-32 -6.20763847e-32 1.99944332e-33] [ 3.10381924e-32 -6.98359328e-32 4.78952053e-50] [-3.10381924e-32 3.10381924e-32 -2.12867579e-50]] stress = [-2.19276215e-11 -2.19276215e-11 2.83811173e-12 -4.74123825e-27 3.53620268e-34 -2.02325231e-50] energy per atom = -4.2825810696620605 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0