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:
Sim_LAMMPS_AIREBO_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
==== 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 10:52:51      -88.805866         0.430513
BFGS:    1 10:52:52      -88.817427         0.412905
BFGS:    2 10:52:53      -88.825313         0.355030
BFGS:    3 10:52:54      -88.828465         0.319294
BFGS:    4 10:52:54      -88.840849         0.161210
BFGS:    5 10:52:55      -88.843845         0.059669
BFGS:    6 10:52:56      -88.843957         0.019542
BFGS:    7 10:52:56      -88.843971         0.009987
BFGS:    8 10:52:57      -88.843975         0.009552
BFGS:    9 10:52:58      -88.843989         0.007556
BFGS:   10 10:52:58      -88.843996         0.007343
BFGS:   11 10:52:59      -88.843999         0.002355
BFGS:   12 10:53:00      -88.843999         0.000282
BFGS:   13 10:53:00      -88.843999         0.000008
BFGS:   14 10:53:01      -88.843999         0.000001
BFGS:   15 10:53:02      -88.843999         0.000000
BFGS:   16 10:53:02      -88.843999         0.000000
Minimization converged after 16 steps.
Maximum force component: 4.796637809167947e-10 eV/Angstrom
Maximum stress component: 7.707310063743281e-12 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 5.64530547e-35 1.87498614e-01]
 [3.19146876e-35 0.00000000e+00 6.87498614e-01]
 [4.06773545e-35 0.00000000e+00 8.12501386e-01]
 [0.00000000e+00 1.70051459e-35 3.12501386e-01]
 [3.33333333e-01 6.66666667e-01 5.20832729e-01]
 [6.66666667e-01 3.33333333e-01 2.08327285e-02]
 [6.66666667e-01 3.33333333e-01 4.79167271e-01]
 [3.33333333e-01 6.66666667e-01 9.79167271e-01]
 [3.33333333e-01 6.66666667e-01 6.45829665e-01]
 [6.66666667e-01 3.33333333e-01 1.45829665e-01]
 [6.66666667e-01 3.33333333e-01 3.54170335e-01]
 [3.33333333e-01 6.66666667e-01 8.54170335e-01]]
cellpar =  Cell([[2.5150157197653376, -7.475157401083882e-19, -3.3470058626054046e-38], [-1.2575078598826688, 2.1780675042339857, -3.4988903526257175e-38], [-2.7428556201781927e-37, 2.129238271524715e-36, 12.321196375176829]])
forces =  [[ 4.54666111e-31  7.15913460e-32  4.79663781e-10]
 [-5.78665960e-31  4.29548076e-31  4.79663781e-10]
 [-2.89332980e-31  2.14774038e-31 -4.79663781e-10]
 [ 4.95999394e-31 -8.59096152e-31 -4.79663781e-10]
 [ 2.47999697e-31  2.86365384e-31  5.17922099e-11]
 [-4.13332829e-31  1.43182692e-31  5.17922099e-11]
 [-7.02665809e-31  5.01139422e-31 -5.17922099e-11]
 [ 6.19999243e-32  4.65343749e-31 -5.17922099e-11]
 [ 2.47999697e-31 -4.29548076e-31 -1.97901057e-10]
 [ 2.47999697e-31 -5.01139422e-31 -1.97901057e-10]
 [-1.65333131e-31  3.42486201e-47  1.97901057e-10]
 [ 2.47999697e-31 -1.43182692e-31  1.97901057e-10]]
stress =  [-6.29647381e-12 -6.29647381e-12 -7.70731006e-12  2.93951864e-32
  1.69713188e-32  4.88858059e-28]
energy per atom =  -7.403666559354001
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0