element(s):
['C']
AFLOW prototype label:
A_oC8_65_gh
Parameter names:
['a', 'b/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:
['7.8193', '0.34531224', '0.32109012', '0.5860263', '0.68934767']
model name:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.5860263  0.         0.        ]
 [0.68934767 0.         0.5       ]]
spacegroup =  65
cell =  [[7.8193, 0, 0], [0, 2.7001, 0], [0, 0, 2.5107]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:42:22      -56.861229         3.573070
BFGS:    1 09:42:22      -57.103440         1.794186
BFGS:    2 09:42:22      -57.205644         0.767509
BFGS:    3 09:42:22      -57.225619         0.614921
BFGS:    4 09:42:22      -57.261140         0.594283
BFGS:    5 09:42:22      -57.297943         0.717149
BFGS:    6 09:42:22      -57.325426         0.529279
BFGS:    7 09:42:22      -57.341039         0.385180
BFGS:    8 09:42:22      -57.346217         0.372282
BFGS:    9 09:42:22      -57.356295         0.352500
BFGS:   10 09:42:22      -57.368111         0.524655
BFGS:   11 09:42:22      -57.378845         0.478370
BFGS:   12 09:42:22      -57.386424         0.188101
BFGS:   13 09:42:22      -57.387733         0.172890
BFGS:   14 09:42:22      -57.388568         0.163431
BFGS:   15 09:42:22      -57.389562         0.134013
BFGS:   16 09:42:22      -57.391029         0.152830
BFGS:   17 09:42:22      -57.391917         0.089865
BFGS:   18 09:42:22      -57.392146         0.021038
BFGS:   19 09:42:22      -57.392164         0.001514
BFGS:   20 09:42:22      -57.392164         0.000140
BFGS:   21 09:42:22      -57.392164         0.000015
BFGS:   22 09:42:22      -57.392164         0.000001
BFGS:   23 09:42:22      -57.392164         0.000000
BFGS:   24 09:42:22      -57.392164         0.000000
BFGS:   25 09:42:22      -57.392164         0.000000
Minimization converged after 25 steps.
Maximum force component: 3.329760439596542e-09 eV/Angstrom
Maximum stress component: 1.4689489251223659e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.89409712e-01 7.28826398e-36 0.00000000e+00]
 [4.10590288e-01 0.00000000e+00 1.44585805e-36]
 [8.94097123e-02 5.00000000e-01 0.00000000e+00]
 [9.10590288e-01 5.00000000e-01 1.50463277e-36]
 [6.90025673e-01 0.00000000e+00 5.00000000e-01]
 [3.09974327e-01 9.87414941e-36 5.00000000e-01]
 [1.90025673e-01 5.00000000e-01 5.00000000e-01]
 [8.09974327e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[7.962276020768341, -5.2522094190558145e-36, 0.0], [9.088375367233091e-37, 2.550437267027643, 0.0], [0.0, 0.0, 2.5481653345312076]])
forces =  [[ 3.32976044e-09 -3.14365664e-32  0.00000000e+00]
 [-3.32976044e-09  3.14365664e-32  0.00000000e+00]
 [ 3.32976044e-09 -6.28731328e-32  0.00000000e+00]
 [-3.32976044e-09  6.28731328e-32  0.00000000e+00]
 [-1.19646833e-09 -1.25746266e-31 -5.10389144e-32]
 [ 1.19646833e-09  6.28731328e-32  0.00000000e+00]
 [-1.19646833e-09 -1.25746266e-31  0.00000000e+00]
 [ 1.19646833e-09  6.28731328e-32  6.28171254e-32]]
stress =  [-1.46894893e-10 -1.97143508e-11  4.48761086e-11  0.00000000e+00
  0.00000000e+00  5.16245836e-47]
energy per atom =  -7.174020524725365
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0