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 16:48:17      -87.842316         0.587949
BFGS:    1 16:48:17      -87.856873         0.315876
BFGS:    2 16:48:17      -87.861421         0.282196
BFGS:    3 16:48:17      -87.866436         0.232256
BFGS:    4 16:48:17      -87.870173         0.184397
BFGS:    5 16:48:17      -87.874361         0.144847
BFGS:    6 16:48:17      -87.877105         0.085899
BFGS:    7 16:48:17      -87.877955         0.037499
BFGS:    8 16:48:17      -87.878078         0.031954
BFGS:    9 16:48:17      -87.878134         0.027147
BFGS:   10 16:48:17      -87.878265         0.022315
BFGS:   11 16:48:17      -87.878430         0.029292
BFGS:   12 16:48:17      -87.878555         0.019766
BFGS:   13 16:48:17      -87.878589         0.005683
BFGS:   14 16:48:17      -87.878593         0.000471
BFGS:   15 16:48:17      -87.878593         0.000028
BFGS:   16 16:48:17      -87.878593         0.000003
BFGS:   17 16:48:17      -87.878593         0.000000
BFGS:   18 16:48:17      -87.878593         0.000000
Minimization converged after 18 steps.
Maximum force component: 2.8669774748690817e-09 eV/Angstrom
Maximum stress component: 9.015150408934454e-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 4.79209864e-36 1.87500000e-01]
 [4.03981382e-36 0.00000000e+00 6.87500000e-01]
 [1.57545642e-35 1.66498484e-36 8.12500000e-01]
 [0.00000000e+00 7.66924494e-36 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([[2.5157111838961606, 5.611831191678597e-19, 7.726448967694807e-36], [-1.2578555919480803, 2.1786697938387, 1.5672076285270894e-35], [3.765853512633634e-35, 1.0683151995842347e-34, 12.32441748174265]])
forces =  [[-7.44204826e-31 -1.43222285e-31 -2.86697747e-09]
 [-4.96136550e-31 -8.59333713e-31 -2.86697747e-09]
 [-3.30757700e-31  5.72889142e-31  2.86697747e-09]
 [-8.26894251e-31  1.43222285e-30  2.86697747e-09]
 [-8.26894251e-31  4.29666856e-31 -5.97859346e-11]
 [-1.65378850e-31  2.86444571e-31 -5.97859346e-11]
 [ 4.13447125e-31  1.43222285e-31  5.97859346e-11]
 [-6.61515401e-31  5.18093745e-46  5.97859346e-11]
 [-2.79076810e-31  1.96930643e-31 -1.67437382e-09]
 [-4.96136550e-31 -1.45140543e-44 -1.67437382e-09]
 [-3.30757700e-31  5.72889142e-31  1.67437382e-09]
 [ 5.37481263e-31  2.14833428e-31  1.67437382e-09]]
stress =  [-9.01515041e-11 -9.01515041e-11 -4.53251884e-11 -8.87502091e-32
 -1.80223297e-32  1.78041222e-26]
energy per atom =  -7.323216063109702
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0