element(s):
['Si']
AFLOW prototype label:
A_cI12_229_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.7307']
model name:
Sim_LAMMPS_GW_GaoWeber_2002_SiC__SM_606253546840_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.25 0.   0.5 ]]
spacegroup =  229
cell =  [[6.7307, 0, 0], [0, 6.7307, 0], [0, 0, 6.7307]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:33:57      -18.849726       14.8491
BFGS:    1 17:33:57      -21.033521       14.2215
BFGS:    2 17:33:57      -23.102984       13.3303
BFGS:    3 17:33:57      -25.021255       12.2122
BFGS:    4 17:33:57      -26.757383       10.9090
BFGS:    5 17:33:57      -28.286941        9.4656
BFGS:    6 17:33:57      -29.592381        7.9285
BFGS:    7 17:33:57      -30.663147        6.3443
BFGS:    8 17:33:57      -31.495547        4.7576
BFGS:    9 17:33:57      -32.092411        3.2105
BFGS:   10 17:33:57      -32.462559        1.7406
BFGS:   11 17:33:57      -32.620106        0.3807
BFGS:   12 17:33:57      -32.628555        0.0235
BFGS:   13 17:33:57      -32.628588        0.0004
BFGS:   14 17:33:57      -32.628588        0.0000
BFGS:   15 17:33:57      -32.628588        0.0000
Minimization converged after 15 steps.
Maximum force component: 1.0698992556915334e-29 eV/Angstrom
Maximum stress component: 3.23389435812482e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.50000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 7.20666078e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 6.00555065e-35]
 [5.00000000e-01 7.50000000e-01 1.20111013e-34]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.56694491e-36 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 2.50000000e-01 5.00000000e-01]
 [7.14210755e-36 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 6.00555065e-35]
 [7.50000000e-01 5.00000000e-01 6.00555065e-35]
 [5.00000000e-01 3.72344141e-33 7.50000000e-01]
 [5.00000000e-01 3.60333039e-33 2.50000000e-01]]
cellpar =  Cell([[6.413832986771743, 3.910552831856178e-33, -6.1072436505231614e-33], [-3.194537366916482e-33, 6.413832986771743, -4.852086307920025e-18], [3.5175388518000595e-32, -4.852086307920145e-18, 6.413832986771743]])
forces =  [[-5.27043968e-31 -1.05408794e-31  2.37169786e-31]
 [ 5.79748365e-31  1.05408794e-31 -1.05408794e-31]
 [ 2.10817587e-31 -7.90565952e-31 -1.05408794e-31]
 [-1.58113190e-31  1.47572311e-30 -1.58113190e-31]
 [-1.05408794e-31  2.10817587e-31  5.16503089e-30]
 [ 1.05408794e-31 -1.05408794e-31  1.63383630e-30]
 [-2.10817587e-31  8.74892987e-30 -1.05408794e-31]
 [ 2.10817587e-31 -9.80301781e-30 -1.58113190e-31]
 [-1.10368608e-63 -1.05408794e-31 -2.10817587e-31]
 [ 1.10368608e-63  1.05408794e-31  2.10817587e-31]
 [ 1.05408794e-31  2.10817587e-31  1.06989926e-29]
 [-1.05408794e-31 -2.10817587e-31 -9.17056505e-30]]
stress =  [ 3.23389436e-13  3.23389436e-13  3.23389436e-13 -1.44535198e-28
  3.19605239e-33 -1.07824301e-48]
energy per atom =  -2.719048970734119
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0