element(s): ['Si'] AFLOW prototype label: A_cF8_227_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['5.4673'] 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 = 227 cell = [[5.4673, 0, 0], [0, 5.4673, 0], [0, 0, 5.4673]] ========================================= Step Time Energy fmax BFGS: 0 01:05:50 -37.016141 0.267092 BFGS: 1 01:05:50 -37.019103 0.250359 BFGS: 2 01:05:51 -37.039823 0.023549 BFGS: 3 01:05:51 -37.040000 0.000817 BFGS: 4 01:05:51 -37.040000 0.000003 BFGS: 5 01:05:52 -37.040000 0.000000 Minimization converged after 5 steps. Maximum force component: 1.8395871923272343e-31 eV/Angstrom Maximum stress component: 1.3634754066115651e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 5.13581405e-33 0.00000000e+00] [5.64938275e-33 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 5.03698217e-33] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [7.50000000e-01 2.50000000e-01 7.50000000e-01] [2.50000000e-01 2.50000000e-01 2.50000000e-01] [2.50000000e-01 7.50000000e-01 7.50000000e-01] [7.50000000e-01 7.50000000e-01 2.50000000e-01]] cellpar = Cell([[5.4270924998418195, -3.5497049870676944e-34, -2.743356962375106e-33], [1.1828370772052286e-33, 5.4270924998418195, 1.2333056361617646e-19], [6.112198651354226e-36, 1.23330563616177e-19, 5.4270924998418195]]) forces = [[ 3.34470399e-32 5.01705598e-32 8.36175997e-33] [-3.34470399e-32 -5.57450664e-32 -1.26680547e-51] [ 7.94367197e-32 -1.39362666e-31 5.01705598e-32] [-5.43909523e-66 -2.50852799e-32 2.50852799e-32] [ 9.47666129e-32 -7.80430930e-32 1.88139599e-32] [ 5.01705598e-32 1.22639146e-31 -3.34470399e-32] [ 3.06597865e-32 1.83958719e-31 -3.34470399e-32] [ 5.57450664e-32 1.50511679e-31 -1.11490133e-32]] stress = [1.36347541e-11 1.36347541e-11 1.36347541e-11 2.80982371e-27 2.09245447e-34 2.23177682e-50] energy per atom = -4.630000000205695 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0