element(s):
['C']
AFLOW prototype label:
A_cI8_214_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1243']
model name:
Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  214
cell =  [[4.1243, 0, 0], [0, 4.1243, 0], [0, 0, 4.1243]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:26:08      -58.990674         0.231348
BFGS:    1 17:26:08      -58.992877         0.213104
BFGS:    2 17:26:08      -59.005019         0.004966
BFGS:    3 17:26:08      -59.005025         0.000103
BFGS:    4 17:26:08      -59.005025         0.000000
BFGS:    5 17:26:08      -59.005025         0.000000
Minimization converged after 5 steps.
Maximum force component: 1.5172524218152305e-30 eV/Angstrom
Maximum stress component: 5.646477723982969e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.125 0.125 0.125]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.875 0.375 0.125]
 [0.625 0.625 0.625]
 [0.375 0.125 0.875]
 [0.125 0.875 0.375]]
cellpar =  Cell([[4.103138012185198, -5.833587542005832e-39, 2.1104046537244538e-35], [-6.258233152457329e-35, 4.103138012185198, -2.1543110552153603e-22], [-1.2701593978222373e-33, -2.1543110551997145e-22, 4.103138012185198]])
forces =  [[ 6.74334410e-31 -1.34866882e-31 -1.34866882e-31]
 [-1.43717521e-30  9.44068174e-31  4.04600646e-31]
 [-3.16094255e-31  4.21459006e-31 -1.51725242e-30]
 [ 9.44068174e-31 -4.04600646e-31  9.44068174e-31]
 [-6.74334410e-31  1.07893506e-30 -4.04600646e-31]
 [ 8.09201292e-31 -6.45366114e-31 -6.74334410e-31]
 [ 1.13793932e-30 -4.21459006e-31  3.37167205e-31]
 [ 9.44068174e-31 -7.41767851e-31 -6.74334410e-32]]
stress =  [-5.64647772e-14 -5.64647772e-14 -5.64647772e-14  3.86322786e-29
 -4.88086674e-33  1.68205264e-48]
energy per atom =  -7.375628139804144
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0