element(s):
['C']
AFLOW prototype label:
A_hR4_166_2c
Parameter names:
['a', 'c/a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.467734', '14.757233', '0.94637264', '0.72030293']
model name:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.44637264]
 [0.         0.         0.22030293]]
spacegroup =  166
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 36.4169]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:01:26      -95.657452        0.6416
BFGS:    1 16:01:26      -95.668751        0.5901
BFGS:    2 16:01:26      -95.713908        0.3146
BFGS:    3 16:01:26      -95.731977        0.0482
BFGS:    4 16:01:26      -95.732422        0.0010
BFGS:    5 16:01:26      -95.732422        0.0000
BFGS:    6 16:01:26      -95.732422        0.0000
BFGS:    7 16:01:26      -95.732422        0.0000
Minimization converged after 7 steps.
Maximum force component: 1.7005030864705014e-09 eV/Angstrom
Maximum stress component: 1.795121405198056e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.80600346e-31 5.63255018e-31 4.46368188e-01]
 [0.00000000e+00 1.03900403e-16 5.53631812e-01]
 [6.66666667e-01 3.33333333e-01 7.79701522e-01]
 [6.66666667e-01 3.33333333e-01 8.86965145e-01]
 [3.33333333e-01 6.66666667e-01 1.13034855e-01]
 [3.33333333e-01 6.66666667e-01 2.20298478e-01]
 [1.14897458e-17 2.78002375e-31 2.20298478e-01]
 [1.00000000e+00 9.83010955e-31 7.79701522e-01]
 [6.66666667e-01 3.33333333e-01 5.53631812e-01]
 [6.66666667e-01 3.33333333e-01 1.13034855e-01]
 [3.33333333e-01 6.66666667e-01 8.86965145e-01]
 [3.33333333e-01 6.66666667e-01 4.46368188e-01]]
cellpar =  Cell([[2.4920489398088748, 6.45449979037561e-19, 5.999885516096464e-38], [-1.2460244699044374, 2.1581776893485634, 1.555974997758723e-33], [1.2899641398500419e-36, -2.6868475296677736e-30, 36.41689986035363]])
forces =  [[-5.46077773e-31  3.78333779e-31  1.70050309e-09]
 [ 4.36862218e-31  1.25463522e-40 -1.70050309e-09]
 [ 1.91127221e-31  1.30052236e-31  1.70050309e-09]
 [ 3.27646664e-31  1.25463522e-40 -1.70050309e-09]
 [-2.18431109e-31  3.78333779e-31  1.70050309e-09]
 [ 7.16727077e-32  9.45834449e-32 -1.70050309e-09]
 [ 3.68602497e-31  3.78333779e-31  1.70050309e-09]
 [ 2.77305119e-31  5.18731080e-31 -1.70050309e-09]
 [ 4.36862218e-31  1.89166889e-31  1.70050309e-09]
 [ 3.27646664e-31  3.78333779e-31 -1.70050309e-09]
 [ 3.27646664e-31  1.89166889e-31  1.70050309e-09]
 [ 5.46077773e-32  2.83750334e-31 -1.70050309e-09]]
stress =  [ 1.79512141e-11  1.79512141e-11  2.36370567e-21 -1.33828620e-32
 -2.31797969e-32  2.94625887e-27]
energy per atom =  -7.977701861339543
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0