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_GW_GaoWeber_2002_SiC__SM_606253546840_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 17:30:06      -14.518959       14.3689
BFGS:    1 17:30:06      -16.575321       12.9642
BFGS:    2 17:30:06      -18.385955       11.1149
BFGS:    3 17:30:06      -19.894646        8.9628
BFGS:    4 17:30:06      -21.067079        6.6562
BFGS:    5 17:30:06      -21.891019        4.3393
BFGS:    6 17:30:06      -22.374881        2.1418
BFGS:    7 17:30:06      -22.544227        0.2177
BFGS:    8 17:30:06      -22.546164        0.0171
BFGS:    9 17:30:06      -22.546176        0.0002
BFGS:   10 17:30:06      -22.546176        0.0000
BFGS:   11 17:30:06      -22.546176        0.0000
Minimization converged after 11 steps.
Maximum force component: 3.0054074362215748e-31 eV/Angstrom
Maximum stress component: 6.554018976906839e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[7.00918315e-34 0.00000000e+00 6.83705557e-34]
 [5.46996705e-36 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 8.84658412e-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([[5.224877541197709, 4.238358354010778e-34, 1.7399421803238745e-34], [9.62890876763565e-34, 5.224877541197709, -1.49625209784842e-17], [1.4120097153138096e-32, -1.496252097848421e-17, 5.224877541197709]])
forces =  [[-2.68339950e-32 -4.29343919e-32  1.28803176e-31]
 [ 8.58687839e-32  1.69054168e-31 -8.58687839e-32]
 [ 1.28803176e-31 -8.58687839e-32 -1.71737568e-31]
 [-1.07335980e-31  2.14671960e-32  8.58687839e-32]
 [-3.00540744e-31 -6.44015879e-32 -1.50270372e-31]
 [ 1.28803176e-31 -4.29343919e-32  3.17871613e-32]
 [ 8.05019849e-32 -7.51351859e-32 -6.44015879e-32]
 [-2.14671960e-32 -1.28803176e-31  1.07335980e-32]]
stress =  [6.55401898e-14 6.55401898e-14 6.55401898e-14 3.07157369e-29
 1.50503629e-34 5.32976278e-50]
energy per atom =  -2.818271998652614
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0