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 16:43:42      -56.861229        3.5731
BFGS:    1 16:43:42      -57.103440        1.7942
BFGS:    2 16:43:42      -57.205644        0.7675
BFGS:    3 16:43:42      -57.225619        0.6149
BFGS:    4 16:43:42      -57.261140        0.5943
BFGS:    5 16:43:42      -57.297943        0.7171
BFGS:    6 16:43:42      -57.325426        0.5293
BFGS:    7 16:43:42      -57.341039        0.3852
BFGS:    8 16:43:42      -57.346217        0.3723
BFGS:    9 16:43:42      -57.356295        0.3525
BFGS:   10 16:43:42      -57.368111        0.5247
BFGS:   11 16:43:42      -57.378845        0.4784
BFGS:   12 16:43:42      -57.386424        0.1881
BFGS:   13 16:43:42      -57.387733        0.1729
BFGS:   14 16:43:42      -57.388568        0.1634
BFGS:   15 16:43:42      -57.389562        0.1340
BFGS:   16 16:43:42      -57.391029        0.1528
BFGS:   17 16:43:42      -57.391917        0.0899
BFGS:   18 16:43:42      -57.392146        0.0210
BFGS:   19 16:43:42      -57.392164        0.0015
BFGS:   20 16:43:42      -57.392164        0.0001
BFGS:   21 16:43:42      -57.392164        0.0000
BFGS:   22 16:43:42      -57.392164        0.0000
BFGS:   23 16:43:42      -57.392164        0.0000
BFGS:   24 16:43:42      -57.392164        0.0000
BFGS:   25 16:43:42      -57.392164        0.0000
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