element(s):
['C']
AFLOW prototype label:
A_hR4_166_2c
Parameter names:
['a', 'c/a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.467734', '14.757233', '0.94637264', '0.72030293']
model name:
Tersoff_LAMMPS_Tersoff_1988_C__MO_579868029681_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.44637264]
 [0.         0.         0.22030293]]
spacegroup =  166
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 36.4169]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:34:48      -88.276892         1.610670
BFGS:    1 09:34:48      -88.347915         1.476148
BFGS:    2 09:34:48      -88.481180         1.190672
BFGS:    3 09:34:48      -88.586356         0.914377
BFGS:    4 09:34:48      -88.664353         0.647029
BFGS:    5 09:34:48      -88.716053         0.388402
BFGS:    6 09:34:48      -88.742317         0.138277
BFGS:    7 09:34:48      -88.746227         0.003569
BFGS:    8 09:34:48      -88.746230         0.000096
BFGS:    9 09:34:48      -88.746230         0.000041
BFGS:   10 09:34:48      -88.746230         0.000003
BFGS:   11 09:34:48      -88.746230         0.000000
BFGS:   12 09:34:48      -88.746230         0.000000
Minimization converged after 12 steps.
Maximum force component: 8.431855691371415e-09 eV/Angstrom
Maximum stress component: 3.6952558018851236e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.84024222e-31 5.61971065e-31 4.46368188e-01]
 [0.00000000e+00 1.03900403e-16 5.53631812e-01]
 [6.66666667e-01 3.33333333e-01 7.79701522e-01]
 [6.66666667e-01 3.33333333e-01 8.86965145e-01]
 [3.33333333e-01 6.66666667e-01 1.13034855e-01]
 [3.33333333e-01 6.66666667e-01 2.20298478e-01]
 [1.14897458e-17 2.76204841e-31 2.20298478e-01]
 [1.00000000e+00 9.81213421e-31 7.79701522e-01]
 [6.66666667e-01 3.33333333e-01 5.53631812e-01]
 [6.66666667e-01 3.33333333e-01 1.13034855e-01]
 [3.33333333e-01 6.66666667e-01 8.86965145e-01]
 [3.33333333e-01 6.66666667e-01 4.46368188e-01]]
cellpar =  Cell([[2.5296784693894683, 2.796660392822784e-18, 3.0014726594042467e-38], [-1.2648392346947341, 2.1907658178978147, 3.960337972898301e-33], [-1.2190609772870635e-37, -2.686847119170325e-30, 36.41689983385308]])
forces =  [[-1.21951161e-30  1.92023279e-31 -8.43185569e-09]
 [ 9.14633705e-31 -1.20014549e-30  8.43185569e-09]
 [-1.31651821e-30  4.80058202e-32 -8.43185569e-09]
 [ 8.86917532e-31 -1.15213967e-30  8.43185569e-09]
 [-1.33037630e-30  6.22104221e-40 -8.43185569e-09]
 [ 8.86917532e-31 -7.68093115e-31  8.43185569e-09]
 [-1.10864692e-31  6.22104223e-40 -8.43185569e-09]
 [ 3.60310247e-31 -6.22104223e-40  8.43185569e-09]
 [ 2.77161729e-31 -4.80058196e-31 -8.43185569e-09]
 [ 2.21729383e-31 -6.22104223e-40  8.43185569e-09]
 [ 1.66297037e-31 -3.84046556e-31 -8.43185569e-09]
 [ 1.10864692e-31 -1.92023279e-31  8.43185569e-09]]
stress =  [ 3.69525580e-10  3.69525580e-10  1.06839163e-19  2.72636784e-41
  3.16961811e-49 -3.77811948e-26]
energy per atom =  -7.395519132241437
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0