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 18:21:56      -58.990674        0.2313
BFGS:    1 18:21:56      -58.992877        0.2131
BFGS:    2 18:21:56      -59.005019        0.0050
BFGS:    3 18:21:56      -59.005025        0.0001
BFGS:    4 18:21:56      -59.005025        0.0000
BFGS:    5 18:21:56      -59.005025        0.0000
Minimization converged after 5 steps.
Maximum force component: 2.4276038749043688e-30 eV/Angstrom
Maximum stress component: 5.6464777239829756e-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, -2.5034306875052734e-34, 2.1279990303461683e-34], [-2.7536846581875195e-33, 4.103138012185198, -4.495163836062104e-22], [-3.758318806382613e-35, -4.495163836062103e-22, 4.103138012185198]])
forces =  [[ 1.34866882e-31  2.69733764e-31  1.21380194e-30]
 [ 1.52989619e-30  2.42760387e-30 -2.02300323e-30]
 [ 1.16744145e-30 -9.94643254e-31  5.73184248e-31]
 [-2.69733764e-31  5.39467528e-31  2.42760387e-30]
 [-1.48353570e-30  1.34866882e-31 -1.07893506e-30]
 [-2.69733764e-31  6.36093521e-31  6.74334410e-31]
 [ 8.68205552e-31 -1.12951014e-30 -9.27209813e-31]
 [ 5.87706590e-64 -8.76634733e-31  6.74334410e-32]]
stress =  [-5.64647772e-14 -5.64647772e-14 -5.64647772e-14  2.84987508e-30
 -4.88086674e-33  1.71239743e-49]
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