element(s):
['C']
AFLOW prototype label:
A_cI16_206_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4773', '0.15607601']
model name:
Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.15607601 0.15607601 0.15607601]]
spacegroup =  206
cell =  [[4.4773, 0, 0], [0, 4.4773, 0], [0, 0, 4.4773]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:37:30     -108.309910        4.5059
BFGS:    1 17:37:30     -110.035706        1.1785
BFGS:    2 17:37:30     -110.098198        1.1514
BFGS:    3 17:37:30     -110.259706        1.0491
BFGS:    4 17:37:30     -110.402865        0.9334
BFGS:    5 17:37:30     -110.528791        0.8085
BFGS:    6 17:37:30     -110.636653        0.6763
BFGS:    7 17:37:30     -110.725296        0.5379
BFGS:    8 17:37:30     -110.793600        0.3937
BFGS:    9 17:37:30     -110.840527        0.2439
BFGS:   10 17:37:30     -110.865095        0.0884
BFGS:   11 17:37:30     -110.868715        0.0063
BFGS:   12 17:37:30     -110.868721        0.0034
BFGS:   13 17:37:30     -110.868723        0.0005
BFGS:   14 17:37:30     -110.868723        0.0000
BFGS:   15 17:37:30     -110.868723        0.0000
BFGS:   16 17:37:30     -110.868723        0.0000
BFGS:   17 17:37:30     -110.868723        0.0000
Minimization converged after 17 steps.
Maximum force component: 6.786047312909903e-10 eV/Angstrom
Maximum stress component: 7.56704070822267e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.14810136 0.14810136 0.14810136]
 [0.35189864 0.85189864 0.64810136]
 [0.85189864 0.64810136 0.35189864]
 [0.64810136 0.35189864 0.85189864]
 [0.64810136 0.64810136 0.64810136]
 [0.85189864 0.35189864 0.14810136]
 [0.35189864 0.14810136 0.85189864]
 [0.14810136 0.85189864 0.35189864]
 [0.85189864 0.85189864 0.85189864]
 [0.64810136 0.14810136 0.35189864]
 [0.14810136 0.35189864 0.64810136]
 [0.35189864 0.64810136 0.14810136]
 [0.35189864 0.35189864 0.35189864]
 [0.14810136 0.64810136 0.85189864]
 [0.64810136 0.85189864 0.14810136]
 [0.85189864 0.14810136 0.64810136]]
cellpar =  Cell([[4.351094251055617, 9.334986824671522e-38, 0.0], [8.583341686658795e-38, 4.351094251055617, 0.0], [0.0, 0.0, 4.351094251055617]])
forces =  [[-6.78604731e-10 -6.78604731e-10 -6.78604731e-10]
 [ 6.78604731e-10  6.78604731e-10 -6.78604731e-10]
 [ 6.78604731e-10 -6.78604731e-10  6.78604731e-10]
 [-6.78604731e-10  6.78604731e-10  6.78604731e-10]
 [-6.78604731e-10 -6.78604731e-10 -6.78604731e-10]
 [ 6.78604731e-10  6.78604731e-10 -6.78604731e-10]
 [ 6.78604731e-10 -6.78604731e-10  6.78604731e-10]
 [-6.78604731e-10  6.78604731e-10  6.78604731e-10]
 [ 6.78604731e-10  6.78604731e-10  6.78604731e-10]
 [-6.78604731e-10 -6.78604731e-10  6.78604731e-10]
 [-6.78604731e-10  6.78604731e-10 -6.78604731e-10]
 [ 6.78604731e-10 -6.78604731e-10 -6.78604731e-10]
 [ 6.78604731e-10  6.78604731e-10  6.78604731e-10]
 [-6.78604731e-10 -6.78604731e-10  6.78604731e-10]
 [-6.78604731e-10  6.78604731e-10 -6.78604731e-10]
 [ 6.78604731e-10 -6.78604731e-10 -6.78604731e-10]]
stress =  [-7.56704071e-11 -7.56704071e-11 -7.56704071e-11  0.00000000e+00
  0.00000000e+00 -4.34042463e-33]
energy per atom =  -6.929295177294048
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0