element(s):
['C']
AFLOW prototype label:
A_hP16_194_e3f
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5225', '6.564004', '0.046707512', '0.57788125', '0.67123739', '0.29740429']
model name:
Sim_LAMMPS_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.04670751]
 [0.33333333 0.66666667 0.07788125]
 [0.33333333 0.66666667 0.17123739]
 [0.33333333 0.66666667 0.79740429]]
spacegroup =  194
cell =  [[2.5225, 0, 0], [-1.26125, 2.1845490810462, 0], [0, 0, 16.5577]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:34:01     -117.964179        0.3566
BFGS:    1 14:34:01     -117.974639        0.3285
BFGS:    2 14:34:01     -117.981626        0.2970
BFGS:    3 14:34:01     -117.984619        0.2704
BFGS:    4 14:34:01     -117.989127        0.2078
BFGS:    5 14:34:01     -117.992780        0.1438
BFGS:    6 14:34:01     -117.997269        0.1411
BFGS:    7 14:34:01     -117.999227        0.0606
BFGS:    8 14:34:01     -117.999529        0.0165
BFGS:    9 14:34:02     -117.999547        0.0073
BFGS:   10 14:34:02     -117.999552        0.0074
BFGS:   11 14:34:02     -117.999554        0.0070
BFGS:   12 14:34:02     -117.999564        0.0061
BFGS:   13 14:34:02     -117.999569        0.0053
BFGS:   14 14:34:02     -117.999571        0.0017
BFGS:   15 14:34:02     -117.999571        0.0002
BFGS:   16 14:34:02     -117.999571        0.0000
BFGS:   17 14:34:02     -117.999571        0.0000
BFGS:   18 14:34:02     -117.999571        0.0000
BFGS:   19 14:34:02     -117.999571        0.0000
Minimization converged after 19 steps.
Maximum force component: 4.445019440198205e-09 eV/Angstrom
Maximum stress component: 4.733211357055596e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[8.36559668e-37 3.99867056e-36 4.68740308e-02]
 [0.00000000e+00 1.15478449e-35 5.46874031e-01]
 [0.00000000e+00 0.00000000e+00 9.53125969e-01]
 [3.50167759e-35 0.00000000e+00 4.53125969e-01]
 [3.33333333e-01 6.66666667e-01 7.81232463e-02]
 [6.66666667e-01 3.33333333e-01 5.78123246e-01]
 [6.66666667e-01 3.33333333e-01 9.21876754e-01]
 [3.33333333e-01 6.66666667e-01 4.21876754e-01]
 [3.33333333e-01 6.66666667e-01 1.71871207e-01]
 [6.66666667e-01 3.33333333e-01 6.71871207e-01]
 [6.66666667e-01 3.33333333e-01 8.28128793e-01]
 [3.33333333e-01 6.66666667e-01 3.28128793e-01]
 [3.33333333e-01 6.66666667e-01 7.96876573e-01]
 [6.66666667e-01 3.33333333e-01 2.96876573e-01]
 [6.66666667e-01 3.33333333e-01 2.03123427e-01]
 [3.33333333e-01 6.66666667e-01 7.03123427e-01]]
cellpar =  Cell([[2.5170174144481128, -9.179763959932363e-19, 2.5180763784991064e-36], [-1.2585087072240564, 2.1798010226798916, 5.072412223558575e-36], [1.7304318878730398e-35, 4.960776014681181e-35, 16.441232335971065]])
forces =  [[ 6.20492699e-32 -3.58241627e-32  4.44501944e-09]
 [-1.65464720e-31  1.34119174e-44  4.44501944e-09]
 [-1.86147810e-31  3.58241627e-32 -4.44501944e-09]
 [ 6.20492699e-32 -1.07472488e-31 -4.44501944e-09]
 [-1.03415450e-31  1.79120813e-31 -2.73593811e-09]
 [ 6.20492699e-32 -1.07472488e-31 -2.73593811e-09]
 [-2.27513990e-31  1.07472488e-31  2.73593811e-09]
 [ 2.06830900e-32 -3.58241627e-32  2.73593811e-09]
 [ 2.74050942e-31 -5.46318481e-31 -2.78601849e-09]
 [-5.79126519e-31  2.86593301e-31 -2.78601849e-09]
 [ 1.65464720e-31  2.86593301e-31  2.78601849e-09]
 [ 9.92788318e-31 -2.86593301e-31  2.78601849e-09]
 [ 8.27323598e-31 -2.86593301e-31 -2.66276555e-09]
 [-8.27323598e-31  5.73186603e-31 -2.66276555e-09]
 [-8.27323598e-31  5.73186603e-31  2.66276555e-09]
 [ 8.27323598e-31 -2.86593301e-31  2.66276555e-09]]
stress =  [ 2.45705468e-11  2.45705468e-11 -4.73321136e-11  5.04429716e-33
  8.73697897e-33 -9.49238151e-28]
energy per atom =  -7.374973200958301
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0