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_Tersoff_1988_C__MO_579868029681_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 17:47:43      -88.423763         0.400317
BFGS:    1 17:47:43      -88.433333         0.273288
BFGS:    2 17:47:43      -88.437920         0.246576
BFGS:    3 17:47:43      -88.439006         0.227401
BFGS:    4 17:47:43      -88.445197         0.097654
BFGS:    5 17:47:43      -88.446057         0.034764
BFGS:    6 17:47:43      -88.446168         0.007319
BFGS:    7 17:47:43      -88.446170         0.002444
BFGS:    8 17:47:44      -88.446170         0.000546
BFGS:    9 17:47:44      -88.446170         0.000514
BFGS:   10 17:47:44      -88.446171         0.000169
BFGS:   11 17:47:44      -88.446171         0.000041
BFGS:   12 17:47:44      -88.446171         0.000001
BFGS:   13 17:47:44      -88.446171         0.000000
BFGS:   14 17:47:44      -88.446171         0.000000
Minimization converged after 14 steps.
Maximum force component: 2.6156256327514176e-10 eV/Angstrom
Maximum stress component: 1.235841285863032e-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 1.24583728e-35 1.87500000e-01]
 [1.13441710e-36 0.00000000e+00 6.87500000e-01]
 [1.09340742e-35 0.00000000e+00 8.12500000e-01]
 [0.00000000e+00 1.96616776e-35 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([[2.521278715221558, 6.740238941098954e-21, 1.0198064543183442e-37], [-1.260639357610779, 2.1834914174028603, 1.638270340424624e-38], [1.6247546196055542e-36, 3.755701356271897e-36, 12.35169270327364]])
forces =  [[ 1.65744851e-31 -1.43539251e-31 -1.11041648e-10]
 [-4.14362127e-31  7.17696257e-31 -1.11041648e-10]
 [-2.48617276e-31 -1.43539251e-31  1.11041648e-10]
 [ 2.07181064e-31 -7.17696257e-32  1.11041648e-10]
 [-8.28724254e-32  2.87078503e-31 -1.53689554e-10]
 [-7.25133722e-32  2.69136096e-31 -1.53689554e-10]
 [-1.65744851e-31 -1.43539251e-31  1.53689554e-10]
 [-5.49029818e-31  2.33251283e-31  1.53689554e-10]
 [ 2.90053489e-31 -7.17696257e-32  2.61562563e-10]
 [-3.52207808e-31  3.94732941e-31  2.61562563e-10]
 [-1.86462957e-31  3.58848128e-32 -2.61562563e-10]
 [ 4.14362127e-31 -1.43539251e-31 -2.61562563e-10]]
stress =  [-1.23584129e-11 -1.23584129e-11 -1.23577711e-11  2.43748089e-33
 -4.22184075e-33 -1.11789243e-27]
energy per atom =  -7.370514209744436
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0