element(s):
['Si']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.6864', '1.708383']
model name:
Tersoff_LAMMPS_Tersoff_1994_SiC__MO_794973922560_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.6864, 0, 0], [-1.3432, 2.3264906447265, 0], [0, 0, 4.5894]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:12:05       -7.609085         2.539070
BFGS:    1 14:12:05       -7.678407         2.725691
BFGS:    2 14:12:05       -7.716027         0.579001
BFGS:    3 14:12:05       -7.730815         0.342648
BFGS:    4 14:12:05       -7.735353         0.055528
BFGS:    5 14:12:05       -7.735397         0.006515
BFGS:    6 14:12:05       -7.735397         0.000107
BFGS:    7 14:12:05       -7.735397         0.000002
BFGS:    8 14:12:05       -7.735397         0.000000
Minimization converged after 8 steps.
Maximum force component: 7.396289780115658e-32 eV/Angstrom
Maximum stress component: 6.543639174726555e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.755933720822667, -7.403864206010904e-18, 1.878900644021599e-36], [-1.3779668604113335, 2.386708613378601, -5.08108006147399e-36], [2.9977783278774298e-36, 1.1441297215433492e-35, 4.5004373660282555]])
forces =  [[ 1.13231686e-32 -1.96123033e-32 -7.39628978e-32]
 [-1.13231686e-32  1.96123033e-32  7.39628978e-32]]
stress =  [ 3.31156772e-10  3.31156772e-10 -6.54363917e-10 -4.59014419e-33
 -2.65012099e-33 -1.43077977e-25]
energy per atom =  -3.8676985246687825
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0