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 16:28:25      -30.170494        11.182672
BFGS:    1 16:28:25      -31.644448         3.724565
BFGS:    2 16:28:25      -31.887895         1.026622
BFGS:    3 16:28:25      -31.915153         0.419022
BFGS:    4 16:28:25      -31.918517         0.337186
BFGS:    5 16:28:25      -31.923013         0.237653
BFGS:    6 16:28:25      -31.927874         0.269027
BFGS:    7 16:28:25      -31.930474         0.147195
BFGS:    8 16:28:25      -31.931209         0.079625
BFGS:    9 16:28:25      -31.931508         0.077205
BFGS:   10 16:28:25      -31.931970         0.085540
BFGS:   11 16:28:25      -31.932676         0.120125
BFGS:   12 16:28:25      -31.933305         0.092141
BFGS:   13 16:28:25      -31.933535         0.031444
BFGS:   14 16:28:25      -31.933563         0.003389
BFGS:   15 16:28:25      -31.933564         0.000161
BFGS:   16 16:28:25      -31.933564         0.000022
BFGS:   17 16:28:25      -31.933564         0.000001
BFGS:   18 16:28:25      -31.933564         0.000000
Minimization converged after 18 steps.
Maximum force component: 8.888059752053693e-09 eV/Angstrom
Maximum stress component: 6.966582893646814e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si']
basis =  [[6.93964311e-35 5.00000000e-01 6.10807709e-01]
 [5.00000000e-01 0.00000000e+00 1.10807709e-01]
 [3.60906612e-35 5.00000000e-01 3.89192291e-01]
 [5.00000000e-01 0.00000000e+00 8.89192291e-01]
 [2.85879767e-35 4.86175829e-34 2.50000000e-01]
 [2.01317757e-35 9.72351658e-34 7.50000000e-01]]
cellpar =  Cell([[3.1691085066715026, -3.955375567617671e-38, 8.249983005489331e-32], [1.8679231049792266e-36, 3.1691085066715026, -1.4263771822517166e-17], [-3.3511713910557217e-32, -3.125060790512619e-17, 7.041654712427641]])
forces =  [[ 9.76556959e-33  3.94448864e-26 -8.88805975e-09]
 [ 2.34373669e-31  3.94448474e-26 -8.88805975e-09]
 [ 2.44139235e-33 -3.94448083e-26  8.88805975e-09]
 [ 1.56249113e-31 -3.94448693e-26  8.88805975e-09]
 [-6.19641696e-64 -7.81245564e-32  1.30192643e-31]
 [-5.75598247e-69 -9.76556955e-33  4.39536404e-50]]
stress =  [ 6.96658289e-11  6.96658289e-11 -6.68418845e-11 -3.52709924e-26
  1.10468542e-33  6.40446681e-49]
energy per atom =  -5.322260706413624
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0