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 15:32:17      -18.849726        14.849080
BFGS:    1 15:32:17      -21.033521        14.221501
BFGS:    2 15:32:18      -23.102984        13.330282
BFGS:    3 15:32:18      -25.021255        12.212204
BFGS:    4 15:32:18      -26.757383        10.908990
BFGS:    5 15:32:18      -28.286941         9.465603
BFGS:    6 15:32:18      -29.592381         7.928550
BFGS:    7 15:32:18      -30.663147         6.344265
BFGS:    8 15:32:18      -31.495547         4.757601
BFGS:    9 15:32:18      -32.092411         3.210464
BFGS:   10 15:32:18      -32.462559         1.740627
BFGS:   11 15:32:18      -32.620106         0.380729
BFGS:   12 15:32:18      -32.628555         0.023491
BFGS:   13 15:32:18      -32.628588         0.000389
BFGS:   14 15:32:18      -32.628588         0.000000
BFGS:   15 15:32:18      -32.628588         0.000000
Minimization converged after 15 steps.
Maximum force component: 2.1081758732838094e-30 eV/Angstrom
Maximum stress component: 3.2118257699231476e-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 2.40222026e-34 5.00000000e-01]
 [7.50000000e-01 7.56699382e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [8.69865820e-37 5.00000000e-01 2.50000000e-01]
 [1.41059322e-37 5.00000000e-01 7.50000000e-01]
 [5.13299200e-37 2.50000000e-01 5.00000000e-01]
 [0.00000000e+00 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 0.00000000e+00]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 4.32399647e-33 7.50000000e-01]
 [5.00000000e-01 3.72344141e-33 2.50000000e-01]]
cellpar =  Cell([[6.413832986771742, 2.444669327510178e-32, 8.0271153431478e-33], [-3.386606205032682e-33, 6.413832986771742, -8.171391281234981e-18], [-1.4908200691690592e-32, -8.171391281235044e-18, 6.413832986771742]])
forces =  [[-1.18584893e-31  2.63521984e-31  5.27043968e-32]
 [ 7.37861556e-31  2.10817587e-31 -2.68587130e-49]
 [ 5.27043968e-32  2.89874183e-31 -1.05408794e-31]
 [-1.05408794e-31 -1.25172942e-30  1.05408794e-31]
 [ 2.10817587e-31  5.27043968e-32 -5.27043968e-31]
 [ 1.05408794e-31 -1.37650904e-48  1.08044014e-30]
 [-1.05408794e-31  1.81830169e-30  1.05408794e-31]
 [ 5.27043968e-32 -1.83147779e-30 -1.58113190e-31]
 [-2.63521984e-32  2.10817587e-31  5.27043968e-32]
 [-2.63521984e-31  2.63521984e-31 -3.35733913e-49]
 [ 2.63521984e-31 -2.68587130e-48  2.10817587e-30]
 [ 1.05408794e-31 -5.27043968e-32 -1.76559729e-30]]
stress =  [ 3.21182577e-13  3.21182577e-13  3.21182577e-13  5.71640677e-30
 -3.59555894e-33 -1.98906416e-51]
energy per atom =  -2.7190489707341174
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0