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 15:28:27 -37.016141 0.267092 BFGS: 1 15:28:27 -37.019103 0.250359 BFGS: 2 15:28:27 -37.039823 0.023549 BFGS: 3 15:28:27 -37.040000 0.000817 BFGS: 4 15:28:27 -37.040000 0.000003 BFGS: 5 15:28:27 -37.040000 0.000000 Minimization converged after 5 steps. Maximum force component: 3.233213853181199e-31 eV/Angstrom Maximum stress component: 1.3634403666104933e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 3.65929820e-33 0.00000000e+00] [9.62975258e-34 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 3.40012931e-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([[5.427092499841819, 4.1395838137272325e-34, 5.555866697284555e-33], [-7.203802671360398e-38, 5.427092499841819, 1.4847681252521225e-19], [-4.823110956686005e-34, 1.4847681252521266e-19, 5.427092499841819]]) forces = [[-7.80430930e-32 5.57450664e-32 -3.06597865e-32] [ 1.00341120e-31 -6.13195731e-32 -7.80430930e-32] [-9.75538663e-32 2.17405759e-31 5.08673731e-32] [ 1.67235199e-31 -4.45960531e-32 1.33788159e-31] [ 7.80430930e-32 3.23321385e-31 -3.62342932e-32] [-5.29578131e-32 -2.78725332e-31 1.44937173e-31] [ 5.57450664e-33 2.06256746e-31 -2.17405759e-31] [-1.56086186e-31 1.05915626e-31 2.89768685e-51]] stress = [ 1.36344037e-11 1.36344037e-11 1.36344037e-11 3.29283725e-27 1.39496964e-34 -3.04605451e-52] 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