element(s):
['C']
AFLOW prototype label:
A_hP12_194_bc2f
Parameter names:
['a', 'c/a', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4678', '13.950077', '0.86916696', '0.13083843']
model name:
Tersoff_LAMMPS_Tersoff_1988_C__MO_579868029681_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]
 [0.33333333 0.66666667 0.86916696]
 [0.33333333 0.66666667 0.13083843]]
spacegroup =  194
cell =  [[2.4678, 0, 0], [-1.2339, 2.1371774914592, 0], [0, 0, 34.426]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:30:29      -88.278462        1.6079
BFGS:    1 14:30:29      -88.349236        1.4736
BFGS:    2 14:30:29      -88.482249        1.1882
BFGS:    3 14:30:29      -88.587181        0.9120
BFGS:    4 14:30:29      -88.664939        0.6447
BFGS:    5 14:30:29      -88.716406        0.3861
BFGS:    6 14:30:29      -88.742443        0.1360
BFGS:    7 14:30:29      -88.746227        0.0035
BFGS:    8 14:30:29      -88.746230        0.0001
BFGS:    9 14:30:29      -88.746230        0.0000
BFGS:   10 14:30:29      -88.746230        0.0000
BFGS:   11 14:30:29      -88.746230        0.0000
BFGS:   12 14:30:29      -88.746230        0.0000
BFGS:   13 14:30:29      -88.746230        0.0000
Minimization converged after 13 steps.
Maximum force component: 1.722008727485764e-09 eV/Angstrom
Maximum stress component: 1.3899559682272503e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.47636252e-35 1.25386064e-37 2.50000000e-01]
 [0.00000000e+00 2.81978273e-35 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 8.69164265e-01]
 [6.66666667e-01 3.33333333e-01 3.69164265e-01]
 [6.66666667e-01 3.33333333e-01 1.30835735e-01]
 [3.33333333e-01 6.66666667e-01 6.30835735e-01]
 [3.33333333e-01 6.66666667e-01 1.30835735e-01]
 [6.66666667e-01 3.33333333e-01 6.30835735e-01]
 [6.66666667e-01 3.33333333e-01 8.69164265e-01]
 [3.33333333e-01 6.66666667e-01 3.69164265e-01]]
cellpar =  Cell([[2.5296784692229806, -4.005161567295458e-19, 1.1865233457049853e-37], [-1.2648392346114903, 2.1907658177536318, 2.376219259735464e-37], [-4.010280305216308e-36, -7.209668505443735e-36, 34.42599996569726]])
forces =  [[-8.31485186e-32  1.44017459e-31  3.48688938e-63]
 [ 1.66297037e-31 -2.63292948e-50 -3.48686596e-63]
 [-5.61252501e-31  3.96048012e-31  2.73574087e-68]
 [ 5.82039630e-31 -4.32052377e-31 -3.12626306e-68]
 [-4.15742593e-30  4.32052377e-30 -1.72200873e-09]
 [ 6.65188149e-30 -2.30427934e-30 -1.72200873e-09]
 [ 4.15742593e-30 -4.32052377e-30  1.72200873e-09]
 [-6.65188149e-30  2.30427934e-30  1.72200873e-09]
 [-2.49445556e-30 -8.64104753e-31 -1.72200873e-09]
 [ 4.98891112e-30 -1.72820951e-30 -1.72200873e-09]
 [ 3.82483186e-30 -3.74445393e-30  1.72200873e-09]
 [-4.98891112e-30  1.72820951e-30  1.72200873e-09]]
stress =  [ 1.38995597e-10  1.38995597e-10  3.14254693e-21  2.91092148e-47
  1.61915958e-47 -6.21958307e-26]
energy per atom =  -7.395519132241431
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0