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 15:42:19      -52.068676        1.0172
BFGS:    1 15:42:19      -52.112955        0.8902
BFGS:    2 15:42:19      -52.190346        0.6351
BFGS:    3 15:42:19      -52.245878        0.7101
BFGS:    4 15:42:19      -52.283847        0.4020
BFGS:    5 15:42:19      -52.291399        0.1099
BFGS:    6 15:42:19      -52.291955        0.0598
BFGS:    7 15:42:19      -52.292056        0.0535
BFGS:    8 15:42:19      -52.292155        0.0437
BFGS:    9 15:42:19      -52.292337        0.0321
BFGS:   10 15:42:19      -52.292481        0.0252
BFGS:   11 15:42:19      -52.292534        0.0085
BFGS:   12 15:42:19      -52.292540        0.0011
BFGS:   13 15:42:19      -52.292540        0.0001
BFGS:   14 15:42:19      -52.292540        0.0000
BFGS:   15 15:42:19      -52.292540        0.0000
BFGS:   16 15:42:19      -52.292540        0.0000
Minimization converged after 16 steps.
Maximum force component: 6.794083087791061e-09 eV/Angstrom
Maximum stress component: 7.056603340089128e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[6.19174507e-35 0.00000000e+00 9.37500000e-02]
 [0.00000000e+00 1.13083285e-34 5.93750000e-01]
 [0.00000000e+00 6.14026003e-35 9.06250000e-01]
 [6.17596998e-35 0.00000000e+00 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, 1.995649839763374e-18, 7.300824352724978e-37], [-1.2887482665500976, 2.232177475831088, 1.358130258187587e-36], [-1.0734773948265202e-36, 1.9536060513052062e-35, 8.418068426883655]])
forces =  [[-6.35401953e-32 -1.10054847e-31 -6.79408309e-09]
 [ 1.69440521e-31 -1.57670985e-44 -6.79408309e-09]
 [-8.47202603e-32 -1.46739795e-31  6.79408309e-09]
 [-8.47202603e-32  1.46739795e-31  6.79408309e-09]
 [-3.38881041e-31  8.89404737e-45  3.83254894e-09]
 [ 4.23601302e-32  4.40219386e-31  3.83254894e-09]
 [ 3.60061106e-31 -3.66849488e-32 -3.83254894e-09]
 [ 2.54160781e-31 -4.40219386e-31 -3.83254894e-09]]
stress =  [4.02855688e-11 4.02855688e-11 7.05660334e-10 2.09908132e-32
 2.25866267e-44 8.54812244e-28]
energy per atom =  -6.536567527941563
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0