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 15:46:51      -18.849726        14.849080
BFGS:    1 15:46:51      -21.033521        14.221501
BFGS:    2 15:46:51      -23.102984        13.330282
BFGS:    3 15:46:51      -25.021255        12.212204
BFGS:    4 15:46:51      -26.757383        10.908990
BFGS:    5 15:46:51      -28.286941         9.465603
BFGS:    6 15:46:51      -29.592381         7.928550
BFGS:    7 15:46:51      -30.663147         6.344265
BFGS:    8 15:46:51      -31.495547         4.757601
BFGS:    9 15:46:51      -32.092411         3.210464
BFGS:   10 15:46:51      -32.462559         1.740627
BFGS:   11 15:46:51      -32.620106         0.380729
BFGS:   12 15:46:51      -32.628555         0.023491
BFGS:   13 15:46:51      -32.628588         0.000389
BFGS:   14 15:46:51      -32.628588         0.000000
BFGS:   15 15:46:51      -32.628588         0.000000
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