element(s):
['C']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3798', '0.57333668', '0.81976373']
model name:
Tersoff_LAMMPS_Tersoff_1988_C__MO_579868029681_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.81976373 0.81976373 0.        ]]
spacegroup =  139
cell =  [[4.3798, 0, 0], [0, 4.3798, 0], [0, 0, 2.5111]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:18:50      -55.700475        2.8763
BFGS:    1 17:18:50      -55.669563        3.2528
BFGS:    2 17:18:50      -55.940808        0.4276
BFGS:    3 17:18:50      -55.944079        0.3908
BFGS:    4 17:18:50      -55.954931        0.2015
BFGS:    5 17:18:50      -55.957714        0.1298
BFGS:    6 17:18:50      -55.958304        0.0248
BFGS:    7 17:18:50      -55.958335        0.0168
BFGS:    8 17:18:50      -55.958350        0.0151
BFGS:    9 17:18:50      -55.958378        0.0163
BFGS:   10 17:18:50      -55.958397        0.0128
BFGS:   11 17:18:50      -55.958403        0.0041
BFGS:   12 17:18:50      -55.958403        0.0004
BFGS:   13 17:18:50      -55.958403        0.0000
BFGS:   14 17:18:50      -55.958403        0.0000
BFGS:   15 17:18:50      -55.958403        0.0000
BFGS:   16 17:18:50      -55.958403        0.0000
Minimization converged after 16 steps.
Maximum force component: 3.1633717341114274e-10 eV/Angstrom
Maximum stress component: 4.596070737793762e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[8.16473620e-01 8.16473620e-01 3.79813672e-35]
 [1.83526380e-01 1.83526380e-01 0.00000000e+00]
 [1.83526380e-01 8.16473620e-01 3.79813672e-35]
 [8.16473620e-01 1.83526380e-01 0.00000000e+00]
 [3.16473620e-01 3.16473620e-01 5.00000000e-01]
 [6.83526380e-01 6.83526380e-01 5.00000000e-01]
 [6.83526380e-01 3.16473620e-01 5.00000000e-01]
 [3.16473620e-01 6.83526380e-01 5.00000000e-01]]
cellpar =  Cell([[4.395422788374499, -1.4525717949755319e-36, -2.4307289498689222e-33], [-1.0453228370500734e-36, 4.395422788374497, 8.437501402861209e-19], [-5.959012387550491e-33, 4.847388450788595e-19, 2.5353615263560583]])
forces =  [[ 3.16337173e-10  3.16337173e-10  6.06931772e-29]
 [-3.16337173e-10 -3.16337173e-10 -6.08181802e-29]
 [-3.16337173e-10  3.16337173e-10  6.08767753e-29]
 [ 3.16337173e-10 -3.16337173e-10 -6.07244280e-29]
 [ 3.16337173e-10  3.16337173e-10  6.07244280e-29]
 [-3.16337173e-10 -3.16337173e-10 -6.08494309e-29]
 [-3.16337173e-10  3.16337173e-10  6.07556787e-29]
 [ 3.16337173e-10 -3.16337173e-10 -6.07556787e-29]]
stress =  [-2.30306873e-11 -2.30306873e-11  4.59607074e-11 -1.97879717e-27
  3.31818934e-33 -5.65988565e-50]
energy per atom =  -6.9948004124656915
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0