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_Wagner_2007_SiC__MO_430846853065_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 16:28:33 -37.020798 0.238397 BFGS: 1 16:28:33 -37.023158 0.223578 BFGS: 2 16:28:33 -37.039999 0.001344 BFGS: 3 16:28:34 -37.040000 0.000042 BFGS: 4 16:28:34 -37.040000 0.000000 Minimization converged after 4 steps. Maximum force component: 4.978829351625107e-31 eV/Angstrom Maximum stress component: 3.6633244818009287e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[1.28394979e-33 0.00000000e+00 5.65629637e-34] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 9.29763869e-34] [5.00000000e-01 8.34668086e-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([[5.431000000341184, 1.137817206848248e-34, 9.650612221758641e-36], [1.7219590205747964e-38, 5.431000000341184, 5.780140774852808e-21], [1.5716026930747013e-34, 5.78014077485286e-21, 5.431000000341184]]) forces = [[-1.56198568e-31 3.34711217e-32 -1.11570406e-32] [-8.92563245e-32 -5.57852028e-32 -1.78512649e-31] [-1.20273774e-69 -3.79339379e-31 -4.03725836e-52] [-2.11983771e-31 4.46281623e-32 -1.56198568e-31] [-5.12526551e-32 1.63869033e-32 2.99235314e-31] [ 6.41529832e-32 -7.67046539e-32 -2.95661575e-31] [-2.03615990e-31 2.78926014e-32 1.61777088e-31] [-1.39463007e-33 4.97882935e-31 -2.85899164e-32]] stress = [ 3.66332448e-10 3.66332448e-10 3.66332448e-10 -9.43468820e-26 4.35300956e-36 -5.35780623e-52] energy per atom = -4.6299999999359995 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0