element(s):
['C']
AFLOW prototype label:
A_oC8_67_m
Parameter names:
['a', 'b/a', 'c/a', 'y1', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4679', '1.7318773', '3.3343328', '0.58332715', '0.24954517']
model name:
Tersoff_LAMMPS_Tersoff_1988_C__MO_579868029681_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.         0.41667285 0.24954517]]
spacegroup =  67
cell =  [[2.4679, 0, 0], [0, 4.2741, 0], [0, 0, 8.2288]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:54:49      -58.852059         1.614025
BFGS:    1 15:54:49      -58.921338         1.408324
BFGS:    2 15:54:49      -59.039166         1.021324
BFGS:    3 15:54:49      -59.110587         0.768156
BFGS:    4 15:54:49      -59.158293         0.210513
BFGS:    5 15:54:49      -59.164144         0.009386
BFGS:    6 15:54:49      -59.164153         0.000937
BFGS:    7 15:54:49      -59.164153         0.000705
BFGS:    8 15:54:49      -59.164153         0.000365
BFGS:    9 15:54:49      -59.164153         0.000103
BFGS:   10 15:54:49      -59.164153         0.000016
BFGS:   11 15:54:49      -59.164153         0.000001
BFGS:   12 15:54:49      -59.164153         0.000000
BFGS:   13 15:54:49      -59.164153         0.000000
Minimization converged after 13 steps.
Maximum force component: 4.435651984602273e-10 eV/Angstrom
Maximum stress component: 9.444326519036911e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.58010070e-33 4.16666667e-01 2.49545170e-01]
 [0.00000000e+00 8.33333333e-02 2.49545170e-01]
 [1.05069537e-33 9.16666667e-01 7.50454830e-01]
 [0.00000000e+00 5.83333333e-01 7.50454830e-01]
 [5.00000000e-01 9.16666667e-01 2.49545170e-01]
 [5.00000000e-01 5.83333333e-01 2.49545170e-01]
 [5.00000000e-01 4.16666667e-01 7.50454830e-01]
 [5.00000000e-01 8.33333333e-02 7.50454830e-01]]
cellpar =  Cell([[2.5296784691152765, -4.207649637229232e-40, 0.0], [-3.892692391789616e-38, 4.38153163527585, 0.0], [0.0, 0.0, 8.228799999999998]])
forces =  [[ 3.11806945e-32  4.43565198e-10  0.00000000e+00]
 [ 5.45662153e-32 -4.43565198e-10  0.00000000e+00]
 [ 6.23613890e-32  4.43565198e-10  0.00000000e+00]
 [ 3.94077464e-48 -4.43565198e-10  0.00000000e+00]
 [ 3.11806945e-32  4.43565198e-10  0.00000000e+00]
 [ 5.45662153e-32 -4.43565198e-10  0.00000000e+00]
 [ 6.23613890e-32  4.43565198e-10  0.00000000e+00]
 [ 3.94077464e-48 -4.43565198e-10  0.00000000e+00]]
stress =  [-2.70457365e-11 -9.44432652e-11  0.00000000e+00  0.00000000e+00
  0.00000000e+00  4.44824987e-33]
energy per atom =  -7.395519132241432
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0