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:
Tersoff_LAMMPS_Tersoff_1994_SiC__MO_794973922560_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 16:59:36      -30.170494       11.1827
BFGS:    1 16:59:36      -31.644448        3.7246
BFGS:    2 16:59:36      -31.887895        1.0266
BFGS:    3 16:59:36      -31.915153        0.4190
BFGS:    4 16:59:36      -31.918517        0.3372
BFGS:    5 16:59:36      -31.923013        0.2377
BFGS:    6 16:59:36      -31.927874        0.2690
BFGS:    7 16:59:36      -31.930474        0.1472
BFGS:    8 16:59:36      -31.931209        0.0796
BFGS:    9 16:59:37      -31.931508        0.0772
BFGS:   10 16:59:37      -31.931970        0.0855
BFGS:   11 16:59:37      -31.932676        0.1201
BFGS:   12 16:59:37      -31.933305        0.0921
BFGS:   13 16:59:37      -31.933535        0.0314
BFGS:   14 16:59:37      -31.933563        0.0034
BFGS:   15 16:59:37      -31.933564        0.0002
BFGS:   16 16:59:37      -31.933564        0.0000
BFGS:   17 16:59:37      -31.933564        0.0000
BFGS:   18 16:59:37      -31.933564        0.0000
Minimization converged after 18 steps.
Maximum force component: 8.888027498827811e-09 eV/Angstrom
Maximum stress component: 6.966612152243562e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si']
basis =  [[2.41549855e-35 5.00000000e-01 6.10807709e-01]
 [5.00000000e-01 2.43087915e-34 1.10807709e-01]
 [0.00000000e+00 5.00000000e-01 3.89192291e-01]
 [5.00000000e-01 0.00000000e+00 8.89192291e-01]
 [0.00000000e+00 1.21543957e-34 2.50000000e-01]
 [3.33370657e-35 4.86175829e-34 7.50000000e-01]]
cellpar =  Cell([[3.1691085066715026, -2.940148109296097e-36, 2.8249483306102284e-32], [-9.020420406218943e-36, 3.1691085066715035, 5.622068478974426e-18], [9.697623171085614e-33, 1.196214966440952e-17, 7.041654712427641]])
forces =  [[ 1.23500122e-33 -1.50987313e-26 -8.88802750e-09]
 [-3.90622782e-32 -1.50987118e-26 -8.88802750e-09]
 [ 1.22404101e-41  1.50986923e-26  8.88802750e-09]
 [ 1.22404101e-41  1.50987020e-26  8.88802750e-09]
 [ 3.90622782e-32 -3.62401234e-68  3.48201765e-64]
 [ 3.90622782e-32 -9.76556955e-33 -1.73243361e-50]]
stress =  [ 6.96661215e-11  6.96661215e-11 -6.68426663e-11  1.15900483e-26
 -5.50427784e-43  1.01795158e-58]
energy per atom =  -5.3222607064136245
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0