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 16:29:31      -55.700475         2.876308
BFGS:    1 16:29:31      -55.669563         3.252820
BFGS:    2 16:29:31      -55.940808         0.427594
BFGS:    3 16:29:31      -55.944079         0.390804
BFGS:    4 16:29:31      -55.954931         0.201479
BFGS:    5 16:29:31      -55.957714         0.129832
BFGS:    6 16:29:31      -55.958304         0.024790
BFGS:    7 16:29:31      -55.958335         0.016811
BFGS:    8 16:29:31      -55.958350         0.015136
BFGS:    9 16:29:31      -55.958378         0.016270
BFGS:   10 16:29:31      -55.958397         0.012802
BFGS:   11 16:29:31      -55.958403         0.004079
BFGS:   12 16:29:31      -55.958403         0.000437
BFGS:   13 16:29:31      -55.958403         0.000023
BFGS:   14 16:29:31      -55.958403         0.000002
BFGS:   15 16:29:31      -55.958403         0.000000
BFGS:   16 16:29:31      -55.958403         0.000000
Minimization converged after 16 steps.
Maximum force component: 3.1632719226787775e-10 eV/Angstrom
Maximum stress component: 4.596377532953328e-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 7.59627345e-35]
 [1.83526380e-01 1.83526380e-01 2.84860254e-35]
 [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, 7.059180526121732e-36, 1.4281063618778216e-32], [3.956271819326135e-36, 4.395422788374499, 8.5385958935291885e-19], [-2.8048444288321083e-33, 4.889461236223106e-19, 2.535361526356059]])
forces =  [[ 3.16327192e-10  3.16327192e-10  6.14813136e-29]
 [-3.16327192e-10 -3.16327192e-10 -6.14813136e-29]
 [-3.16327192e-10  3.16327192e-10  6.14500628e-29]
 [ 3.16327192e-10 -3.16327192e-10 -6.14500628e-29]
 [ 3.16327192e-10  3.16327192e-10  6.14188121e-29]
 [-3.16327192e-10 -3.16327192e-10 -6.15438151e-29]
 [-3.16327192e-10  3.16327192e-10  6.14500628e-29]
 [ 3.16327192e-10 -3.16327192e-10 -6.14500628e-29]]
stress =  [-2.30293561e-11 -2.30293561e-11  4.59637753e-11  9.51152477e-27
  1.65909467e-33  3.18743907e-49]
energy per atom =  -6.994800412465689
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0