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_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002 ==== 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 18:15:23 -37.019793 0.243111 BFGS: 1 18:15:24 -37.022248 0.228298 BFGS: 2 18:15:24 -37.039991 0.005144 BFGS: 3 18:15:24 -37.039999 0.000216 BFGS: 4 18:15:24 -37.039999 0.000000 BFGS: 5 18:15:24 -37.039999 0.000000 Minimization converged after 5 steps. Maximum force component: 5.354393379467879e-31 eV/Angstrom Maximum stress component: 2.9097029212390306e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00] [5.00000000e-01 1.15626734e-32 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([[5.429999985072412, -1.324156965202165e-33, -6.11918896651292e-34], [-7.927824937784307e-43, 5.429999985072412, -3.599102852679895e-19], [7.294530059144718e-34, -3.5991028526798954e-19, 5.429999985072412]]) forces = [[-5.57749310e-32 5.29861845e-31 1.56169807e-31] [ 1.00394876e-31 4.46199448e-31 -1.63838860e-31] [ 2.23099724e-31 8.92398897e-32 -4.46199448e-31] [-1.33859834e-31 2.23099724e-31 -1.04577996e-32] [ 2.34254710e-31 8.92398897e-32 1.95212259e-32] [-2.67719669e-31 -4.46199448e-31 -1.78479779e-31] [ 5.35439338e-31 2.67719669e-31 1.56169807e-31] [-2.23099724e-31 3.56959559e-31 8.92398897e-32]] stress = [2.90970292e-13 2.90970292e-13 2.90970292e-13 1.31335890e-29 1.11478094e-33 3.29658915e-50] energy per atom = -4.6299999339564275 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0