element(s):
['C']
AFLOW prototype label:
A_hP8_194_ef
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5188', '3.2978799', '0.092975226', '0.65554043']
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.         0.09297523]
 [0.33333333 0.66666667 0.65554043]]
spacegroup =  194
cell =  [[2.5188, 0, 0], [-1.2594, 2.1813447870522, 0], [0, 0, 8.3067]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:49:07      -52.068676         1.017216
BFGS:    1 14:49:07      -52.112955         0.890206
BFGS:    2 14:49:07      -52.190346         0.635117
BFGS:    3 14:49:07      -52.245878         0.710100
BFGS:    4 14:49:07      -52.283847         0.402044
BFGS:    5 14:49:07      -52.291399         0.109891
BFGS:    6 14:49:07      -52.291955         0.059841
BFGS:    7 14:49:07      -52.292056         0.053469
BFGS:    8 14:49:07      -52.292155         0.043707
BFGS:    9 14:49:07      -52.292337         0.032136
BFGS:   10 14:49:07      -52.292481         0.025203
BFGS:   11 14:49:07      -52.292534         0.008466
BFGS:   12 14:49:07      -52.292540         0.001061
BFGS:   13 14:49:07      -52.292540         0.000103
BFGS:   14 14:49:07      -52.292540         0.000005
BFGS:   15 14:49:07      -52.292540         0.000000
BFGS:   16 14:49:07      -52.292540         0.000000
Minimization converged after 16 steps.
Maximum force component: 6.794092566320131e-09 eV/Angstrom
Maximum stress component: 7.056590821344248e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 1.42690973e-34 9.37500000e-02]
 [1.95349314e-34 0.00000000e+00 5.93750000e-01]
 [5.11661017e-35 0.00000000e+00 9.06250000e-01]
 [0.00000000e+00 7.48058514e-35 4.06250000e-01]
 [3.33333333e-01 6.66666667e-01 6.56250000e-01]
 [6.66666667e-01 3.33333333e-01 1.56250000e-01]
 [6.66666667e-01 3.33333333e-01 3.43750000e-01]
 [3.33333333e-01 6.66666667e-01 8.43750000e-01]]
cellpar =  Cell([[2.577496533100195, 2.069516404633307e-18, 3.781124732915473e-37], [-1.2887482665500976, 2.232177475831088, 7.712115778361936e-37], [6.950367914842195e-37, -3.42395356585284e-36, 8.418068426883655]])
forces =  [[-3.81241172e-31  2.20109693e-31 -6.79409257e-09]
 [-2.32980716e-31  3.66849488e-32 -6.79409257e-09]
 [ 5.60953423e-46  4.40219386e-31  6.79409257e-09]
 [-1.87973078e-31  1.05469228e-31  6.79409257e-09]
 [-3.17700976e-31 -3.66849488e-32  3.83257433e-09]
 [-2.54160781e-31  1.46739795e-31  3.83257433e-09]
 [-3.38881041e-31  3.30164540e-31 -3.83257433e-09]
 [ 1.69440521e-31 -2.93479591e-31 -3.83257433e-09]]
stress =  [ 4.02834078e-11  4.02834078e-11  7.05659082e-10 -2.62385166e-32
  3.02976292e-33  1.22747035e-26]
energy per atom =  -6.536567527941555
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0