element(s):
['C', 'Si']
AFLOW prototype label:
A2B_tP6_131_i_e
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1802', '2.1648324', '0.59917023']
model name:
Sim_LAMMPS_GW_GaoWeber_2002_SiC__SM_606253546840_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Si']
representative atom coordinates =  [[0.         0.5        0.59917023]
 [0.         0.         0.25      ]]
spacegroup =  131
cell =  [[3.1802, 0, 0], [0, 3.1802, 0], [0, 0, 6.8846]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:26:47      -34.128066         6.283962
BFGS:    1 17:26:47      -35.019996         2.538708
BFGS:    2 17:26:48      -35.239199         0.571076
BFGS:    3 17:26:48      -35.256179         0.366300
BFGS:    4 17:26:48      -35.259036         0.309316
BFGS:    5 17:26:48      -35.263870         0.200254
BFGS:    6 17:26:48      -35.268373         0.196732
BFGS:    7 17:26:48      -35.270763         0.103485
BFGS:    8 17:26:48      -35.271550         0.100197
BFGS:    9 17:26:48      -35.272104         0.108120
BFGS:   10 17:26:48      -35.273261         0.110270
BFGS:   11 17:26:48      -35.275458         0.184072
BFGS:   12 17:26:48      -35.278562         0.202979
BFGS:   13 17:26:48      -35.280840         0.117469
BFGS:   14 17:26:48      -35.281421         0.026308
BFGS:   15 17:26:48      -35.281463         0.001734
BFGS:   16 17:26:48      -35.281464         0.000170
BFGS:   17 17:26:48      -35.281464         0.000019
BFGS:   18 17:26:48      -35.281464         0.000000
BFGS:   19 17:26:48      -35.281464         0.000000
Minimization converged after 19 steps.
Maximum force component: 2.3805968307755174e-09 eV/Angstrom
Maximum stress component: 8.14594915711012e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si']
basis =  [[0.00000000e+00 5.00000000e-01 6.10818137e-01]
 [5.00000000e-01 0.00000000e+00 1.10818137e-01]
 [0.00000000e+00 5.00000000e-01 3.89181863e-01]
 [5.00000000e-01 0.00000000e+00 8.89181863e-01]
 [0.00000000e+00 4.90557643e-34 2.50000000e-01]
 [2.50622742e-35 1.96223057e-33 7.50000000e-01]]
cellpar =  Cell([[3.140801038713319, -5.2876412742506776e-36, 5.802329918066541e-32], [-8.8264280456798e-36, 3.1408010387133185, -1.4184615893190257e-17], [4.749239514207155e-32, -3.0551758308076407e-17, 7.135461501048719]])
forces =  [[ 9.67834045e-33 -1.01929523e-26  2.38059683e-09]
 [-1.54853447e-31 -1.01929330e-26  2.38059683e-09]
 [-4.83917023e-33  1.01929911e-26 -2.38059683e-09]
 [ 1.54853447e-31  1.01929481e-26 -2.38059683e-09]
 [ 7.74267235e-32  8.71050639e-32 -3.93387502e-49]
 [ 1.54853447e-31 -2.60700843e-67  2.86076952e-63]]
stress =  [ 5.82444112e-10  5.82444112e-10  8.14594916e-10 -5.33703867e-25
 -1.09998801e-33  6.43816472e-49]
energy per atom =  -5.880243978870429
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0