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_LenoskySadighAlonso_2000_Si__MO_533426548156_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 15:28:27 -36.832228 0.271052 BFGS: 1 15:28:27 -36.835267 0.252199 BFGS: 2 15:28:27 -36.854360 0.000479 BFGS: 3 15:28:27 -36.854360 0.000016 BFGS: 4 15:28:27 -36.854360 0.000000 Minimization converged after 4 steps. Maximum force component: 1.1992815268561585e-31 eV/Angstrom Maximum stress component: 4.8499256818349455e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[8.98666807e-34 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 2.57812175e-34 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([[5.4305456724367005, 8.417401066508152e-40, -3.2254750070920975e-34], [-1.734028360036718e-43, 5.4305456724367005, 1.0990621139165576e-20], [3.6856839918512414e-35, 1.0990621139165576e-20, 5.4305456724367005]]) forces = [[ 4.46244289e-32 3.90463753e-32 -2.23122145e-32] [ 4.46244289e-32 -5.02024825e-32 5.02024825e-32] [-2.78902681e-32 9.48269114e-32 -2.23122145e-32] [ 5.57805361e-32 -1.19928153e-31 3.90463753e-32] [-9.48269114e-32 5.29915093e-32 2.09177010e-32] [ 3.76518619e-32 -8.30171260e-33 -4.53216856e-33] [-6.27531031e-32 8.92488578e-32 3.80004902e-32] [ 6.36246740e-32 -3.76518619e-32 4.11381454e-32]] stress = [ 4.84992568e-11 4.84992568e-11 4.84992568e-11 -2.15380273e-26 -4.35373795e-36 9.66724398e-52] energy per atom = -4.606795040121089 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0