element(s):
['C']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5727']
model name:
Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[3.5727, 0, 0], [0, 3.5727, 0], [0, 0, 3.5727]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:25:48      -58.575044         0.211454
BFGS:    1 15:25:48      -58.576875         0.192705
BFGS:    2 15:25:48      -58.585725         0.003861
BFGS:    3 15:25:48      -58.585729         0.000068
BFGS:    4 15:25:48      -58.585729         0.000000
BFGS:    5 15:25:48      -58.585729         0.000000
Minimization converged after 5 steps.
Maximum force component: 5.262322788348949e-31 eV/Angstrom
Maximum stress component: 2.66990723013964e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 5.13581761e-34 0.00000000e+00]
 [5.13581644e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 2.11458303e-37 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[3.557752875330792, -1.0104732044129736e-33, 9.73024288277755e-34], [1.10886440342238e-33, 3.557752875330792, 7.132453795551868e-21], [-8.297352990346333e-35, 7.132453795551452e-21, 3.557752875330792]])
forces =  [[ 1.60793196e-31 -3.80056646e-31 -2.92351266e-32]
 [-1.02322943e-31 -2.04645886e-31 -8.77053798e-32]
 [ 1.46175633e-31 -5.84702532e-32  8.77053798e-32]
 [-1.16940506e-31 -1.46175633e-31 -2.92351266e-31]
 [ 4.38526899e-31  5.26232279e-31 -2.15609059e-31]
 [-2.19263450e-31 -3.80056646e-31  1.75410760e-31]
 [ 8.77053798e-32  2.04645886e-31 -2.63116139e-31]
 [-1.46175633e-31 -3.32549565e-31 -2.92351266e-32]]
stress =  [-2.66990723e-14 -2.66990723e-14 -2.66990723e-14 -6.00025597e-30
 -2.59679481e-33 -6.20490563e-49]
energy per atom =  -7.323216063109697
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0