element(s):
['C']
AFLOW prototype label:
A_hR2_166_c
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4675532', '5.0459694', '0.83331463']
model name:
Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.         0.         0.33331463]]
spacegroup =  166
cell =  [[2.4676, 0, 0], [-1.2338, 2.1370042863785, 0], [0, 0, 12.4512]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:55:29      -44.114711        1.3025
BFGS:    1 15:55:29      -44.158789        1.0671
BFGS:    2 15:55:29      -44.234976        0.4636
BFGS:    3 15:55:29      -44.253698        0.0278
BFGS:    4 15:55:29      -44.253768        0.0020
BFGS:    5 15:55:29      -44.253769        0.0011
BFGS:    6 15:55:29      -44.253769        0.0002
BFGS:    7 15:55:29      -44.253769        0.0000
BFGS:    8 15:55:29      -44.253769        0.0000
BFGS:    9 15:55:29      -44.253769        0.0000
BFGS:   10 15:55:29      -44.253769        0.0000
Minimization converged after 10 steps.
Maximum force component: 6.124088272585521e-10 eV/Angstrom
Maximum stress component: 4.9163382665212944e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 0.00000000e+00 3.33333333e-01]
 [0.00000000e+00 1.00000000e+00 6.66666667e-01]
 [6.66666667e-01 3.33333333e-01 6.66666667e-01]
 [6.66666667e-01 3.33333333e-01 1.56195123e-12]
 [3.33333333e-01 6.66666667e-01 1.00000000e+00]
 [3.33333333e-01 6.66666667e-01 3.33333333e-01]]
cellpar =  Cell([[2.512648618497401, -5.6474826622118134e-18, -1.5764438043360715e-23], [-1.2563243092487004, 2.176017534402623, -1.3914927994665418e-18], [-7.965369654709477e-23, 4.4408897987715574e-16, 12.451199845374557]])
forces =  [[ 6.56792343e-31  2.18423939e-26  6.12408827e-10]
 [-6.01733169e-31 -2.18421078e-26 -6.12408827e-10]
 [-1.69095267e-31  2.18419171e-26  6.12408827e-10]
 [-4.36555647e-31 -2.18423939e-26 -6.12408827e-10]
 [-1.14036093e-31  2.18418217e-26  6.12408827e-10]
 [ 5.54509485e-31 -2.18429661e-26 -6.12408827e-10]]
stress =  [-4.91633827e-11 -4.91633827e-11  1.04975664e-21  1.75349671e-27
  3.33058936e-32  1.29166017e-26]
energy per atom =  -7.375628139804147
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0