element(s):
['C']
AFLOW prototype label:
A_cI16_206_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4773', '0.15607601']
model name:
Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.15607601 0.15607601 0.15607601]]
spacegroup =  206
cell =  [[4.4773, 0, 0], [0, 4.4773, 0], [0, 0, 4.4773]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:36:02     -108.309910         4.505887
BFGS:    1 15:36:02     -110.035706         1.178483
BFGS:    2 15:36:02     -110.098198         1.151368
BFGS:    3 15:36:02     -110.259706         1.049108
BFGS:    4 15:36:02     -110.402865         0.933395
BFGS:    5 15:36:02     -110.528791         0.808495
BFGS:    6 15:36:02     -110.636653         0.676332
BFGS:    7 15:36:02     -110.725296         0.537887
BFGS:    8 15:36:02     -110.793600         0.393658
BFGS:    9 15:36:02     -110.840527         0.243851
BFGS:   10 15:36:02     -110.865095         0.088422
BFGS:   11 15:36:02     -110.868715         0.006285
BFGS:   12 15:36:02     -110.868721         0.003419
BFGS:   13 15:36:03     -110.868723         0.000532
BFGS:   14 15:36:03     -110.868723         0.000036
BFGS:   15 15:36:03     -110.868723         0.000002
BFGS:   16 15:36:03     -110.868723         0.000000
BFGS:   17 15:36:03     -110.868723         0.000000
Minimization converged after 17 steps.
Maximum force component: 6.786047312909903e-10 eV/Angstrom
Maximum stress component: 7.56704070822267e-11 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 =  [[0.14810136 0.14810136 0.14810136]
 [0.35189864 0.85189864 0.64810136]
 [0.85189864 0.64810136 0.35189864]
 [0.64810136 0.35189864 0.85189864]
 [0.64810136 0.64810136 0.64810136]
 [0.85189864 0.35189864 0.14810136]
 [0.35189864 0.14810136 0.85189864]
 [0.14810136 0.85189864 0.35189864]
 [0.85189864 0.85189864 0.85189864]
 [0.64810136 0.14810136 0.35189864]
 [0.14810136 0.35189864 0.64810136]
 [0.35189864 0.64810136 0.14810136]
 [0.35189864 0.35189864 0.35189864]
 [0.14810136 0.64810136 0.85189864]
 [0.64810136 0.85189864 0.14810136]
 [0.85189864 0.14810136 0.64810136]]
cellpar =  Cell([[4.351094251055617, 9.375951559146276e-38, 0.0], [-3.7354485253531504e-37, 4.351094251055617, 0.0], [0.0, 0.0, 4.351094251055617]])
forces =  [[-6.78604731e-10 -6.78604731e-10 -6.78604731e-10]
 [ 6.78604731e-10  6.78604731e-10 -6.78604731e-10]
 [ 6.78604731e-10 -6.78604731e-10  6.78604731e-10]
 [-6.78604731e-10  6.78604731e-10  6.78604731e-10]
 [-6.78604731e-10 -6.78604731e-10 -6.78604731e-10]
 [ 6.78604731e-10  6.78604731e-10 -6.78604731e-10]
 [ 6.78604731e-10 -6.78604731e-10  6.78604731e-10]
 [-6.78604731e-10  6.78604731e-10  6.78604731e-10]
 [ 6.78604731e-10  6.78604731e-10  6.78604731e-10]
 [-6.78604731e-10 -6.78604731e-10  6.78604731e-10]
 [-6.78604731e-10  6.78604731e-10 -6.78604731e-10]
 [ 6.78604731e-10 -6.78604731e-10 -6.78604731e-10]
 [ 6.78604731e-10  6.78604731e-10  6.78604731e-10]
 [-6.78604731e-10 -6.78604731e-10  6.78604731e-10]
 [-6.78604731e-10  6.78604731e-10 -6.78604731e-10]
 [ 6.78604731e-10 -6.78604731e-10 -6.78604731e-10]]
stress =  [-7.56704071e-11 -7.56704071e-11 -7.56704071e-11  0.00000000e+00
  0.00000000e+00 -4.34042463e-33]
energy per atom =  -6.929295177294048
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0