element(s):
['C']
AFLOW prototype label:
A_hP12_194_e2f
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5213', '4.9308293', '0.18686753', '0.52076763', '0.6450971']
model name:
Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.18686753]
 [0.33333333 0.66666667 0.52076763]
 [0.33333333 0.66666667 0.6450971 ]]
spacegroup =  194
cell =  [[2.5213, 0, 0], [-1.26065, 2.1835098505617, 0], [0, 0, 12.4321]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:25:53      -87.842316         0.587949
BFGS:    1 15:25:53      -87.856873         0.315876
BFGS:    2 15:25:53      -87.861421         0.282196
BFGS:    3 15:25:53      -87.866436         0.232256
BFGS:    4 15:25:53      -87.870173         0.184397
BFGS:    5 15:25:53      -87.874361         0.144847
BFGS:    6 15:25:53      -87.877105         0.085899
BFGS:    7 15:25:53      -87.877955         0.037499
BFGS:    8 15:25:53      -87.878078         0.031954
BFGS:    9 15:25:53      -87.878134         0.027147
BFGS:   10 15:25:53      -87.878265         0.022315
BFGS:   11 15:25:53      -87.878430         0.029292
BFGS:   12 15:25:53      -87.878555         0.019766
BFGS:   13 15:25:53      -87.878589         0.005683
BFGS:   14 15:25:53      -87.878593         0.000471
BFGS:   15 15:25:53      -87.878593         0.000028
BFGS:   16 15:25:53      -87.878593         0.000003
BFGS:   17 15:25:53      -87.878593         0.000000
BFGS:   18 15:25:53      -87.878593         0.000000
Minimization converged after 18 steps.
Maximum force component: 2.866957046765429e-09 eV/Angstrom
Maximum stress component: 9.015042223498026e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 1.79337792e-35 1.87500000e-01]
 [0.00000000e+00 0.00000000e+00 6.87500000e-01]
 [0.00000000e+00 2.23812001e-35 8.12500000e-01]
 [0.00000000e+00 0.00000000e+00 3.12500000e-01]
 [3.33333333e-01 6.66666667e-01 5.20833333e-01]
 [6.66666667e-01 3.33333333e-01 2.08333333e-02]
 [6.66666667e-01 3.33333333e-01 4.79166667e-01]
 [3.33333333e-01 6.66666667e-01 9.79166667e-01]
 [3.33333333e-01 6.66666667e-01 6.45833333e-01]
 [6.66666667e-01 3.33333333e-01 1.45833333e-01]
 [6.66666667e-01 3.33333333e-01 3.54166667e-01]
 [3.33333333e-01 6.66666667e-01 8.54166667e-01]]
cellpar =  Cell([[2.5157111838961614, -2.798140206029827e-19, -1.6603064822288857e-35], [-1.2578555919480807, 2.178669793838701, -3.32074871528622e-35], [-8.329431359926033e-35, -2.360879049574111e-34, 12.32441748174264]])
forces =  [[-6.61515401e-31  7.16111427e-31 -2.86695705e-09]
 [ 3.30757700e-31 -5.72889142e-31 -2.86695705e-09]
 [ 6.61515401e-31 -1.43222285e-31  2.86695705e-09]
 [-6.61515401e-31 -5.49196728e-44  2.86695705e-09]
 [ 7.44204826e-31  1.43222285e-31 -5.98193370e-11]
 [ 8.26894251e-32  1.43222285e-31 -5.98193370e-11]
 [-2.48068275e-31  1.43222285e-31  5.98193370e-11]
 [-5.78825976e-31  1.43222285e-31  5.98193370e-11]
 [-2.48068275e-31 -1.43222285e-31 -1.67439779e-09]
 [ 3.10085344e-31  2.50639000e-31 -1.67439779e-09]
 [ 4.96136550e-31 -5.72889142e-31  1.67439779e-09]
 [ 1.65378850e-31 -3.20749678e-44  1.67439779e-09]]
stress =  [-9.01504222e-11 -9.01504222e-11 -4.53310103e-11  1.22414082e-32
  4.24054817e-33 -3.81419137e-26]
energy per atom =  -7.323216063109695
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0