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_AlbeNordlundAverback_2002_PtC__MO_500121566391_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 16:01:26      -88.230693        1.2995
BFGS:    1 16:01:26      -88.276744        1.1813
BFGS:    2 16:01:26      -88.379244        0.8704
BFGS:    3 16:01:26      -88.451184        0.5701
BFGS:    4 16:01:26      -88.493610        0.2801
BFGS:    5 16:01:26      -88.507520        0.0095
BFGS:    6 16:01:26      -88.507537        0.0011
BFGS:    7 16:01:26      -88.507538        0.0006
BFGS:    8 16:01:26      -88.507538        0.0000
BFGS:    9 16:01:26      -88.507538        0.0000
BFGS:   10 16:01:26      -88.507538        0.0000
BFGS:   11 16:01:26      -88.507538        0.0000
Minimization converged after 11 steps.
Maximum force component: 5.855679908436386e-10 eV/Angstrom
Maximum stress component: 1.3882847947051563e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.78889044e-31 5.61884832e-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 2.78344127e-31 2.20298478e-01]
 [1.00000000e+00 9.80272491e-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([[2.5126486185170314, 3.0884935069600045e-18, 1.197338912932353e-37], [-1.2563243092585157, 2.176017534419624, 2.8724072854571815e-33], [-4.648812507206136e-36, -2.6868470824477884e-30, 36.41689980530577]])
forces =  [[ 4.40473392e-31 -2.86095860e-31 -5.85567991e-10]
 [-3.30355044e-31  1.90730574e-31  5.85567991e-10]
 [ 5.50591740e-31 -1.90730574e-31 -5.85567991e-10]
 [-3.30355044e-31  1.90730574e-31  5.85567991e-10]
 [ 4.95532566e-31 -9.53652867e-32 -5.85567991e-10]
 [-7.47508935e-47 -4.32033385e-41  5.85567991e-10]
 [ 4.95532566e-31  9.53652868e-32 -5.85567991e-10]
 [-1.92707109e-31  3.33778504e-31  5.85567991e-10]
 [ 4.95532566e-31  9.53652868e-32 -5.85567991e-10]
 [-1.65177522e-31  2.86095860e-31  5.85567991e-10]
 [ 5.50591740e-31  1.90730574e-31 -5.85567991e-10]
 [-2.20236696e-31  3.81461147e-31  5.85567991e-10]]
stress =  [-1.38828479e-12 -1.38828479e-12  6.56321047e-22 -1.02427982e-43
 -1.82984728e-49 -1.90755451e-28]
energy per atom =  -7.375628139804138
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0