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 16:48:16      -88.805866         0.430513
BFGS:    1 16:48:17      -88.817427         0.412905
BFGS:    2 16:48:17      -88.825313         0.355030
BFGS:    3 16:48:17      -88.828465         0.319294
BFGS:    4 16:48:17      -88.840849         0.161210
BFGS:    5 16:48:17      -88.843845         0.059669
BFGS:    6 16:48:17      -88.843957         0.019542
BFGS:    7 16:48:17      -88.843971         0.009987
BFGS:    8 16:48:17      -88.843975         0.009552
BFGS:    9 16:48:17      -88.843989         0.007556
BFGS:   10 16:48:17      -88.843996         0.007343
BFGS:   11 16:48:17      -88.843999         0.002355
BFGS:   12 16:48:17      -88.843999         0.000282
BFGS:   13 16:48:17      -88.843999         0.000008
BFGS:   14 16:48:18      -88.843999         0.000001
BFGS:   15 16:48:18      -88.843999         0.000000
BFGS:   16 16:48:18      -88.843999         0.000000
Minimization converged after 16 steps.
Maximum force component: 4.796137098583842e-10 eV/Angstrom
Maximum stress component: 7.709044754170103e-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 5.36659701e-35 1.87498614e-01]
 [3.21752471e-35 2.47783943e-36 6.87498614e-01]
 [2.36489584e-35 0.00000000e+00 8.12501386e-01]
 [0.00000000e+00 1.74851646e-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([[2.515015719765338, -2.3076524943004e-19, 7.0557148281028446e-37], [-1.257507859882669, 2.1780675042339865, 1.4985383075886703e-36], [3.1145623240288194e-36, 8.576950958187807e-36, 12.321196375176827]])
forces =  [[-7.02665809e-31  2.86365384e-31  4.79613710e-10]
 [-1.65333131e-31  1.43182692e-31  4.79613710e-10]
 [ 4.95999394e-31 -3.33911082e-46 -4.79613710e-10]
 [-4.95999394e-31  4.29548076e-31 -4.79613710e-10]
 [-3.92666187e-31  6.80117787e-31  5.18957331e-11]
 [ 8.67998940e-31 -6.44322114e-31  5.18957331e-11]
 [ 5.57999319e-31 -3.93752403e-31 -5.18957331e-11]
 [-5.16666036e-31  3.57956730e-32 -5.18957331e-11]
 [ 5.78665960e-31 -1.43182692e-31 -1.97872080e-10]
 [-5.37332677e-31  2.14774038e-31 -1.97872080e-10]
 [-5.78665960e-31  1.43182692e-31  1.97872080e-10]
 [ 1.23999849e-31 -2.14774038e-31  1.97872080e-10]]
stress =  [-6.29438220e-12 -6.29438220e-12 -7.70904475e-12 -8.89893339e-34
  2.70148922e-33 -1.33730120e-27]
energy per atom =  -7.403666559354
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0