element(s):
['C']
AFLOW prototype label:
A_cI16_229_f
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8764', '0.16261302']
model name:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.16261302 0.16261302 0.16261302]]
spacegroup =  229
cell =  [[4.8764, 0, 0], [0, 4.8764, 0], [0, 0, 4.8764]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:42:32      -95.751779         4.975571
BFGS:    1 15:42:32      -97.103056         1.993341
BFGS:    2 15:42:32      -97.357329         1.120689
BFGS:    3 15:42:32      -97.418509         1.064742
BFGS:    4 15:42:32      -97.567412         0.921780
BFGS:    5 15:42:32      -97.695987         0.782900
BFGS:    6 15:42:32      -97.804100         0.647811
BFGS:    7 15:42:32      -97.892137         0.516390
BFGS:    8 15:42:32      -97.960598         0.388554
BFGS:    9 15:42:32      -98.010000         0.264229
BFGS:   10 15:42:32      -98.040854         0.143351
BFGS:   11 15:42:32      -98.053658         0.025863
BFGS:   12 15:42:32      -98.054102         0.001138
BFGS:   13 15:42:32      -98.054102         0.000302
BFGS:   14 15:42:32      -98.054102         0.000058
BFGS:   15 15:42:32      -98.054102         0.000001
BFGS:   16 15:42:32      -98.054102         0.000000
BFGS:   17 15:42:32      -98.054102         0.000000
Minimization converged after 17 steps.
Maximum force component: 6.208807956016513e-10 eV/Angstrom
Maximum stress component: 2.533551728911614e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.16712642 0.16712642 0.16712642]
 [0.83287358 0.83287358 0.16712642]
 [0.83287358 0.16712642 0.83287358]
 [0.16712642 0.83287358 0.83287358]
 [0.16712642 0.16712642 0.83287358]
 [0.83287358 0.83287358 0.83287358]
 [0.16712642 0.83287358 0.16712642]
 [0.83287358 0.16712642 0.16712642]
 [0.66712642 0.66712642 0.66712642]
 [0.33287358 0.33287358 0.66712642]
 [0.33287358 0.66712642 0.33287358]
 [0.66712642 0.33287358 0.33287358]
 [0.66712642 0.66712642 0.33287358]
 [0.33287358 0.33287358 0.33287358]
 [0.66712642 0.33287358 0.66712642]
 [0.33287358 0.66712642 0.66712642]]
cellpar =  Cell([[5.015985897335652, 1.867624936195464e-33, 2.8933800751400185e-33], [-1.0260893824519797e-32, 5.015985897335652, -2.8508427346657186e-18], [-2.1919009332260957e-33, -2.8508427346657144e-18, 5.015985897335652]])
forces =  [[-6.20880796e-10 -6.20880796e-10 -6.20880796e-10]
 [ 6.20880796e-10  6.20880796e-10 -6.20880796e-10]
 [ 6.20880796e-10 -6.20880796e-10  6.20880796e-10]
 [-6.20880796e-10  6.20880796e-10  6.20880796e-10]
 [-6.20880796e-10 -6.20880796e-10  6.20880796e-10]
 [ 6.20880796e-10  6.20880796e-10  6.20880796e-10]
 [-6.20880796e-10  6.20880796e-10 -6.20880796e-10]
 [ 6.20880796e-10 -6.20880796e-10 -6.20880796e-10]
 [-6.20880796e-10 -6.20880796e-10 -6.20880796e-10]
 [ 6.20880796e-10  6.20880796e-10 -6.20880796e-10]
 [ 6.20880796e-10 -6.20880796e-10  6.20880796e-10]
 [-6.20880796e-10  6.20880796e-10  6.20880796e-10]
 [-6.20880796e-10 -6.20880796e-10  6.20880796e-10]
 [ 6.20880796e-10  6.20880796e-10  6.20880796e-10]
 [-6.20880796e-10  6.20880796e-10 -6.20880796e-10]
 [ 6.20880796e-10 -6.20880796e-10 -6.20880796e-10]]
stress =  [2.53355173e-13 2.53355173e-13 2.53355173e-13 4.77564482e-30
 2.61280245e-33 4.88232224e-50]
energy per atom =  -6.128381359787367
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0