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_AlbeNordlundAverback_2002_PtC__MO_500121566391_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 09:42:24      -58.821107         1.298633
BFGS:    1 09:42:24      -58.865902         1.121857
BFGS:    2 09:42:24      -58.954756         0.664090
BFGS:    3 09:42:25      -58.998919         0.227436
BFGS:    4 09:42:25      -59.005012         0.012543
BFGS:    5 09:42:25      -59.005022         0.010239
BFGS:    6 09:42:25      -59.005025         0.002012
BFGS:    7 09:42:25      -59.005025         0.000777
BFGS:    8 09:42:25      -59.005025         0.000628
BFGS:    9 09:42:25      -59.005025         0.000530
BFGS:   10 09:42:25      -59.005025         0.000292
BFGS:   11 09:42:25      -59.005025         0.000110
BFGS:   12 09:42:25      -59.005025         0.000020
BFGS:   13 09:42:25      -59.005025         0.000001
BFGS:   14 09:42:25      -59.005025         0.000000
BFGS:   15 09:42:25      -59.005025         0.000000
Minimization converged after 15 steps.
Maximum force component: 1.040224092200357e-09 eV/Angstrom
Maximum stress component: 1.1184006725481404e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[3.76525534e-37 4.16666667e-01 2.49545170e-01]
 [2.74709403e-37 8.33333333e-02 2.49545170e-01]
 [0.00000000e+00 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([[2.5126486184729777, 7.268398344201211e-38, 0.0], [-2.6429825321237083e-36, 4.352035068786776, 0.0], [0.0, 0.0, 8.228799999999998]])
forces =  [[-2.47766283e-31  1.04022409e-09  1.36293594e-31]
 [ 6.19415707e-31 -1.04022409e-09  1.42632831e-31]
 [-3.09707854e-31  1.04022409e-09 -1.39463212e-31]
 [ 3.71649424e-31 -1.04022409e-09 -1.39463212e-31]
 [ 3.71649424e-31  1.04022409e-09  1.36293594e-31]
 [ 2.47766283e-31 -1.04022409e-09  1.42632831e-31]
 [ 2.47766283e-31  1.04022409e-09 -1.39463212e-31]
 [-4.33590995e-31 -1.04022409e-09 -1.39463212e-31]]
stress =  [-7.23264998e-11 -1.11840067e-10  1.75335468e-31  0.00000000e+00
  0.00000000e+00  4.50875156e-33]
energy per atom =  -7.37562813980415
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0