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_AlbeNordlundAverback_2002_PtC__MO_500121566391_004
==== 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 15:56:13     -106.991060         2.270562
BFGS:    1 15:56:13     -106.980141         2.460027
BFGS:    2 15:56:13     -107.297659         0.334644
BFGS:    3 15:56:13     -107.302647         0.318240
BFGS:    4 15:56:13     -107.335021         0.257179
BFGS:    5 15:56:13     -107.348342         0.217446
BFGS:    6 15:56:13     -107.351806         0.075303
BFGS:    7 15:56:13     -107.352126         0.009754
BFGS:    8 15:56:13     -107.352136         0.000418
BFGS:    9 15:56:13     -107.352136         0.000044
BFGS:   10 15:56:13     -107.352136         0.000002
BFGS:   11 15:56:13     -107.352136         0.000000
BFGS:   12 15:56:13     -107.352136         0.000000
Minimization converged after 12 steps.
Maximum force component: 2.301251956006766e-10 eV/Angstrom
Maximum stress component: 1.5140985500309904e-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 =  [[0.16447727 0.16447727 0.16447727]
 [0.83552273 0.83552273 0.16447727]
 [0.83552273 0.16447727 0.83552273]
 [0.16447727 0.83552273 0.83552273]
 [0.16447727 0.16447727 0.83552273]
 [0.83552273 0.83552273 0.83552273]
 [0.16447727 0.83552273 0.16447727]
 [0.83552273 0.16447727 0.16447727]
 [0.66447727 0.66447727 0.66447727]
 [0.33552273 0.33552273 0.66447727]
 [0.33552273 0.66447727 0.33552273]
 [0.66447727 0.33552273 0.33552273]
 [0.66447727 0.66447727 0.33552273]
 [0.33552273 0.33552273 0.33552273]
 [0.66447727 0.33552273 0.66447727]
 [0.33552273 0.66447727 0.66447727]]
cellpar =  Cell([[4.912477195926012, -2.751637030201733e-32, 7.831337930003583e-33], [-2.687781658838368e-32, 4.912477195926012, -1.1186727866063452e-18], [3.805416742175958e-32, -1.1186727866063595e-18, 4.912477195926012]])
forces =  [[ 2.30125196e-10  2.30125196e-10  2.30125196e-10]
 [-2.30125196e-10 -2.30125196e-10  2.30125196e-10]
 [-2.30125196e-10  2.30125196e-10 -2.30125196e-10]
 [ 2.30125196e-10 -2.30125196e-10 -2.30125196e-10]
 [ 2.30125196e-10  2.30125196e-10 -2.30125196e-10]
 [-2.30125196e-10 -2.30125196e-10 -2.30125196e-10]
 [ 2.30125196e-10 -2.30125196e-10  2.30125196e-10]
 [-2.30125196e-10  2.30125196e-10  2.30125196e-10]
 [ 2.30125196e-10  2.30125196e-10  2.30125196e-10]
 [-2.30125196e-10 -2.30125196e-10  2.30125196e-10]
 [-2.30125196e-10  2.30125196e-10 -2.30125196e-10]
 [ 2.30125196e-10 -2.30125196e-10 -2.30125196e-10]
 [ 2.30125196e-10  2.30125196e-10 -2.30125196e-10]
 [-2.30125196e-10 -2.30125196e-10 -2.30125196e-10]
 [ 2.30125196e-10 -2.30125196e-10  2.30125196e-10]
 [-2.30125196e-10  2.30125196e-10  2.30125196e-10]]
stress =  [-1.51409855e-11 -1.51409855e-11 -1.51409855e-11  1.54783870e-27
 -1.68898335e-58  5.79007242e-60]
energy per atom =  -6.709508486358229
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0