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 14:33:17      -88.423763        0.4003
BFGS:    1 14:33:17      -88.433333        0.2733
BFGS:    2 14:33:17      -88.437920        0.2466
BFGS:    3 14:33:17      -88.439006        0.2274
BFGS:    4 14:33:17      -88.445197        0.0977
BFGS:    5 14:33:17      -88.446057        0.0348
BFGS:    6 14:33:17      -88.446168        0.0073
BFGS:    7 14:33:17      -88.446170        0.0024
BFGS:    8 14:33:17      -88.446170        0.0005
BFGS:    9 14:33:17      -88.446170        0.0005
BFGS:   10 14:33:17      -88.446171        0.0002
BFGS:   11 14:33:17      -88.446171        0.0000
BFGS:   12 14:33:17      -88.446171        0.0000
BFGS:   13 14:33:17      -88.446171        0.0000
BFGS:   14 14:33:17      -88.446171        0.0000
Minimization converged after 14 steps.
Maximum force component: 2.615050120891027e-10 eV/Angstrom
Maximum stress component: 1.2355435314443596e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[3.21493161e-36 0.00000000e+00 1.87500000e-01]
 [5.85690252e-36 0.00000000e+00 6.87500000e-01]
 [1.68333817e-35 0.00000000e+00 8.12500000e-01]
 [1.10160760e-35 0.00000000e+00 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([[2.5212787152215586, -1.2200146769131848e-21, -1.9560137315718696e-37], [-1.2606393576107793, 2.1834914174028612, -9.54581423393963e-38], [-9.674464259802888e-37, -2.176014246846509e-36, 12.351692703273642]])
forces =  [[-5.38670765e-31 -5.02387380e-31 -1.10977116e-10]
 [-9.94469105e-31 -1.43539251e-31 -1.10977116e-10]
 [-4.27472804e-31  1.31456162e-30  1.10977116e-10]
 [ 5.80106978e-31  7.17696257e-31  1.10977116e-10]
 [-4.55798340e-31 -2.15308877e-31 -1.53638533e-10]
 [ 3.31489702e-31 -5.74157005e-31 -1.53638533e-10]
 [ 4.55798340e-31  7.17696257e-32  1.53638533e-10]
 [-5.80106978e-31  4.30617754e-31  1.53638533e-10]
 [-6.21543191e-31  3.58848128e-31  2.61505012e-10]
 [ 7.14774669e-31 -1.23802604e-30  2.61505012e-10]
 [ 1.16021396e-30  2.87078503e-31 -2.61505012e-10]
 [-1.09805964e-30  6.10041818e-31 -2.61505012e-10]]
stress =  [-1.23554353e-11 -1.23554353e-11 -1.23532682e-11 -8.77493121e-32
 -1.68873630e-32 -3.35732877e-27]
energy per atom =  -7.370514209744441
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0