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:
Sim_LAMMPS_GWZBL_Samolyuk_2016_SiC__SM_720598599889_000
==== 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 15:42:44      -14.518959        14.368876
BFGS:    1 15:42:44      -16.575320        12.964183
BFGS:    2 15:42:45      -18.385955        11.114936
BFGS:    3 15:42:45      -19.894645         8.962789
BFGS:    4 15:42:45      -21.067079         6.656220
BFGS:    5 15:42:45      -21.891018         4.339303
BFGS:    6 15:42:45      -22.374880         2.141842
BFGS:    7 15:42:45      -22.544227         0.217680
BFGS:    8 15:42:45      -22.546163         0.017125
BFGS:    9 15:42:45      -22.546176         0.000176
BFGS:   10 15:42:45      -22.546176         0.000000
BFGS:   11 15:42:45      -22.546176         0.000000
Minimization converged after 11 steps.
Maximum force component: 7.728190569050512e-31 eV/Angstrom
Maximum stress component: 6.883629458028338e-14 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]
 [2.50034711e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 4.05468438e-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([[5.224877553885346, 1.2380816251952792e-33, 8.325114383592516e-34], [2.9217365339228904e-33, 5.224877553885346, 4.854524417888373e-19], [-6.964479006365064e-34, 4.854524417888388e-19, 5.224877553885346]])
forces =  [[-1.28803176e-31  2.57606352e-31 -8.58687841e-32]
 [-2.34126607e-31 -1.45540144e-50 -1.56643446e-31]
 [ 2.79073548e-31 -5.36679901e-32 -1.07335980e-31]
 [-1.98571563e-31  8.58687841e-32 -2.14671960e-31]
 [ 7.51351861e-32 -7.72819057e-31  3.00540744e-31]
 [ 3.43475136e-31  8.58687841e-32  3.00540744e-31]
 [-2.36139156e-31 -9.66023821e-32  2.68339950e-32]
 [-1.18069578e-31  2.57606352e-31  1.61003970e-31]]
stress =  [ 6.88362946e-14  6.88362946e-14  6.88362946e-14 -2.54460993e-31
 -1.20402903e-33  1.24884770e-50]
energy per atom =  -2.818271942675798
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0