element(s):
['C']
AFLOW prototype label:
A_hP8_194_ef
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5188', '3.2978799', '0.092975226', '0.65554043']
model name:
Tersoff_LAMMPS_Tersoff_1988_C__MO_579868029681_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.09297523]
 [0.33333333 0.66666667 0.65554043]]
spacegroup =  194
cell =  [[2.5188, 0, 0], [-1.2594, 2.1813447870522, 0], [0, 0, 8.3067]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:49:07      -58.941787         0.392909
BFGS:    1 14:49:07      -58.951647         0.357353
BFGS:    2 14:49:07      -58.954927         0.314283
BFGS:    3 14:49:07      -58.957764         0.242392
BFGS:    4 14:49:07      -58.962467         0.124733
BFGS:    5 14:49:07      -58.963922         0.063400
BFGS:    6 14:49:07      -58.964109         0.008063
BFGS:    7 14:49:07      -58.964113         0.001181
BFGS:    8 14:49:07      -58.964114         0.000724
BFGS:    9 14:49:07      -58.964114         0.000668
BFGS:   10 14:49:07      -58.964114         0.000431
BFGS:   11 14:49:07      -58.964114         0.000233
BFGS:   12 14:49:07      -58.964114         0.000031
BFGS:   13 14:49:07      -58.964114         0.000002
BFGS:   14 14:49:07      -58.964114         0.000000
BFGS:   15 14:49:07      -58.964114         0.000000
Minimization converged after 15 steps.
Maximum force component: 2.1705559190003783e-09 eV/Angstrom
Maximum stress component: 9.575160178814784e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[4.38554768e-36 0.00000000e+00 9.37500000e-02]
 [1.04973329e-36 0.00000000e+00 5.93750000e-01]
 [0.00000000e+00 0.00000000e+00 9.06250000e-01]
 [0.00000000e+00 8.49354003e-36 4.06250000e-01]
 [3.33333333e-01 6.66666667e-01 6.56250000e-01]
 [6.66666667e-01 3.33333333e-01 1.56250000e-01]
 [6.66666667e-01 3.33333333e-01 3.43750000e-01]
 [3.33333333e-01 6.66666667e-01 8.43750000e-01]]
cellpar =  Cell([[2.5212787152007228, 5.247579628383305e-19, 2.396414394024184e-38], [-1.2606393576003614, 2.1834914173848157, 4.790114419295477e-38], [4.777066051109781e-37, 1.9526448866921617e-36, 8.23446180210499]])
forces =  [[ 4.55798340e-31 -2.15308877e-31 -9.75394196e-10]
 [ 8.90878573e-31 -1.07654439e-31 -9.75394196e-10]
 [ 1.65744851e-31 -5.74157005e-31  9.75394196e-10]
 [ 4.14362127e-31  2.87078503e-31  9.75394196e-10]
 [ 2.43437750e-31  1.52510455e-31  2.17055592e-09]
 [-2.02001537e-31  4.93416176e-31  2.17055592e-09]
 [-7.45851829e-31  1.43539251e-31 -2.17055592e-09]
 [-2.48617276e-31 -2.87078503e-31 -2.17055592e-09]]
stress =  [-9.57516018e-11 -9.57516018e-11 -5.23663552e-11  3.65622134e-33
  6.33276112e-33 -4.26720169e-27]
energy per atom =  -7.370514209744401
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0