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 16:15:59      -34.128066         6.283962
BFGS:    1 16:15:59      -35.019996         2.538708
BFGS:    2 16:15:59      -35.239199         0.571076
BFGS:    3 16:15:59      -35.256179         0.366300
BFGS:    4 16:15:59      -35.259036         0.309316
BFGS:    5 16:15:59      -35.263870         0.200254
BFGS:    6 16:16:00      -35.268373         0.196732
BFGS:    7 16:16:00      -35.270763         0.103485
BFGS:    8 16:16:00      -35.271550         0.100197
BFGS:    9 16:16:00      -35.272104         0.108120
BFGS:   10 16:16:00      -35.273261         0.110270
BFGS:   11 16:16:00      -35.275458         0.184072
BFGS:   12 16:16:00      -35.278562         0.202979
BFGS:   13 16:16:00      -35.280840         0.117469
BFGS:   14 16:16:00      -35.281421         0.026308
BFGS:   15 16:16:00      -35.281463         0.001734
BFGS:   16 16:16:00      -35.281464         0.000170
BFGS:   17 16:16:00      -35.281464         0.000019
BFGS:   18 16:16:00      -35.281464         0.000000
BFGS:   19 16:16:01      -35.281464         0.000000
Minimization converged after 19 steps.
Maximum force component: 2.3806050464259e-09 eV/Angstrom
Maximum stress component: 8.14594511928744e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si']
basis =  [[4.70255138e-37 5.00000000e-01 6.10818137e-01]
 [5.00000000e-01 1.47167293e-33 1.10818137e-01]
 [7.44794139e-35 5.00000000e-01 3.89181863e-01]
 [5.00000000e-01 1.17733834e-32 8.89181863e-01]
 [0.00000000e+00 2.45278822e-33 2.50000000e-01]
 [0.00000000e+00 1.37356140e-32 7.50000000e-01]]
cellpar =  Cell([[3.140801038713321, 1.0723073806554571e-35, -2.3616702242307187e-33], [4.32599450854405e-37, 3.1408010387133207, -2.1516722943196544e-17], [-1.669540014654419e-32, -4.688151905159386e-17, 7.135461501048711]])
forces =  [[ 3.62937766e-33 -1.56410879e-26  2.38060505e-09]
 [-2.32280170e-31 -1.56410831e-26  2.38060505e-09]
 [ 2.41958511e-33  1.56410879e-26 -2.38060505e-09]
 [-3.87133617e-31  1.56410855e-26 -2.38060505e-09]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 4.11573390e-64  1.15571867e-48 -1.75902707e-31]]
stress =  [ 5.82444530e-10  5.82444530e-10  8.14594512e-10 -5.01363901e-25
 -4.39995216e-33  2.70806780e-48]
energy per atom =  -5.880243978870431
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0