element(s):
['C']
AFLOW prototype label:
A_oC8_67_m
Parameter names:
['a', 'b/a', 'c/a', 'y1', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4679', '1.7318773', '3.3343328', '0.58332715', '0.24954517']
model name:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.         0.41667285 0.24954517]]
spacegroup =  67
cell =  [[2.4679, 0, 0], [0, 4.2741, 0], [0, 0, 8.2288]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:50:10      -63.771959         0.642105
BFGS:    1 12:50:10      -63.782940         0.565323
BFGS:    2 12:50:10      -63.818533         0.156945
BFGS:    3 12:50:10      -63.821607         0.012231
BFGS:    4 12:50:10      -63.821611         0.010931
BFGS:    5 12:50:10      -63.821615         0.000516
BFGS:    6 12:50:10      -63.821615         0.000266
BFGS:    7 12:50:10      -63.821615         0.000240
BFGS:    8 12:50:10      -63.821615         0.000035
BFGS:    9 12:50:10      -63.821615         0.000006
BFGS:   10 12:50:10      -63.821615         0.000000
BFGS:   11 12:50:10      -63.821615         0.000000
Minimization converged after 11 steps.
Maximum force component: 8.411235596916812e-11 eV/Angstrom
Maximum stress component: 1.8124577043538196e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 4.16666667e-01 2.49545170e-01]
 [0.00000000e+00 8.33333333e-02 2.49545170e-01]
 [1.85457193e-36 9.16666667e-01 7.50454830e-01]
 [2.13976706e-38 5.83333333e-01 7.50454830e-01]
 [5.00000000e-01 9.16666667e-01 2.49545170e-01]
 [5.00000000e-01 5.83333333e-01 2.49545170e-01]
 [5.00000000e-01 4.16666667e-01 7.50454830e-01]
 [5.00000000e-01 8.33333333e-02 7.50454830e-01]]
cellpar =  Cell([[2.4920489397145125, -3.4989127937440675e-39, 0.0], [-1.227008786823356e-36, 4.31635537883027, 0.0], [0.0, 0.0, 8.228799999999998]])
forces =  [[ 6.14337495e-32 -8.41123560e-11  3.54997268e-31]
 [ 3.07168747e-32  8.41123560e-11  3.54997268e-31]
 [-9.21506242e-32 -8.41123560e-11 -3.54997268e-31]
 [-8.15916985e-32  8.41123560e-11 -3.54997268e-31]
 [-3.83960934e-32 -8.41123560e-11  3.54997268e-31]
 [-6.14337495e-32  8.41123560e-11  3.54997268e-31]
 [-8.25516008e-32 -8.41123560e-11 -3.54997268e-31]
 [ 6.14337495e-32  8.41123560e-11 -3.54997268e-31]]
stress =  [-1.68700300e-10  1.81245770e-10  5.48106915e-31  0.00000000e+00
  0.00000000e+00 -2.86474986e-34]
energy per atom =  -7.977701861339532
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0