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 17:43:09      -95.751779        4.9756
BFGS:    1 17:43:09      -97.103056        1.9933
BFGS:    2 17:43:09      -97.357329        1.1207
BFGS:    3 17:43:09      -97.418509        1.0647
BFGS:    4 17:43:09      -97.567412        0.9218
BFGS:    5 17:43:09      -97.695987        0.7829
BFGS:    6 17:43:09      -97.804100        0.6478
BFGS:    7 17:43:09      -97.892137        0.5164
BFGS:    8 17:43:09      -97.960598        0.3886
BFGS:    9 17:43:09      -98.010000        0.2642
BFGS:   10 17:43:09      -98.040854        0.1434
BFGS:   11 17:43:09      -98.053658        0.0259
BFGS:   12 17:43:09      -98.054102        0.0011
BFGS:   13 17:43:09      -98.054102        0.0003
BFGS:   14 17:43:09      -98.054102        0.0001
BFGS:   15 17:43:09      -98.054102        0.0000
BFGS:   16 17:43:09      -98.054102        0.0000
BFGS:   17 17:43:09      -98.054102        0.0000
Minimization converged after 17 steps.
Maximum force component: 6.209082421560296e-10 eV/Angstrom
Maximum stress component: 2.5392317464336505e-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([[5.015985897335653, 4.544057486085501e-32, -1.2233160301083296e-32], [1.1620594857597636e-32, 5.015985897335653, 1.6504975224018382e-17], [-1.0908037161973315e-33, 1.650497522401838e-17, 5.015985897335653]])
forces =  [[-6.20908242e-10 -6.20908242e-10 -6.20908242e-10]
 [ 6.20908242e-10  6.20908242e-10 -6.20908242e-10]
 [ 6.20908242e-10 -6.20908242e-10  6.20908242e-10]
 [-6.20908242e-10  6.20908242e-10  6.20908242e-10]
 [-6.20908242e-10 -6.20908242e-10  6.20908242e-10]
 [ 6.20908242e-10  6.20908242e-10  6.20908242e-10]
 [-6.20908242e-10  6.20908242e-10 -6.20908242e-10]
 [ 6.20908242e-10 -6.20908242e-10 -6.20908242e-10]
 [-6.20908242e-10 -6.20908242e-10 -6.20908242e-10]
 [ 6.20908242e-10  6.20908242e-10 -6.20908242e-10]
 [ 6.20908242e-10 -6.20908242e-10  6.20908242e-10]
 [-6.20908242e-10  6.20908242e-10  6.20908242e-10]
 [-6.20908242e-10 -6.20908242e-10  6.20908242e-10]
 [ 6.20908242e-10  6.20908242e-10  6.20908242e-10]
 [-6.20908242e-10  6.20908242e-10 -6.20908242e-10]
 [ 6.20908242e-10 -6.20908242e-10 -6.20908242e-10]]
stress =  [ 2.53923175e-13  2.53923175e-13  2.53923175e-13 -8.32210627e-30
 -6.53200612e-34  5.03634933e-52]
energy per atom =  -6.128381359787365
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0