element(s):
['C']
AFLOW prototype label:
A_oC8_65_gh
Parameter names:
['a', 'b/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:
['7.8193', '0.34531224', '0.32109012', '0.5860263', '0.68934767']
model name:
Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.5860263  0.         0.        ]
 [0.68934767 0.         0.5       ]]
spacegroup =  65
cell =  [[7.8193, 0, 0], [0, 2.7001, 0], [0, 0, 2.5107]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:53:24      -57.360983         5.719032
BFGS:    1 15:53:24      -58.006256         2.169828
BFGS:    2 15:53:24      -58.196786         0.921631
BFGS:    3 15:53:24      -58.211856         0.862959
BFGS:    4 15:53:24      -58.255848         0.717985
BFGS:    5 15:53:24      -58.294187         0.591782
BFGS:    6 15:53:24      -58.327500         0.477495
BFGS:    7 15:53:24      -58.355268         0.412212
BFGS:    8 15:53:24      -58.376946         0.334584
BFGS:    9 15:53:24      -58.392276         0.235741
BFGS:   10 15:53:24      -58.401474         0.300936
BFGS:   11 15:53:24      -58.405547         0.332735
BFGS:   12 15:53:24      -58.408157         0.320753
BFGS:   13 15:53:24      -58.415646         0.227180
BFGS:   14 15:53:24      -58.421252         0.167979
BFGS:   15 15:53:24      -58.424792         0.226859
BFGS:   16 15:53:24      -58.426470         0.235226
BFGS:   17 15:53:24      -58.428301         0.214175
BFGS:   18 15:53:24      -58.430919         0.152418
BFGS:   19 15:53:24      -58.433363         0.129135
BFGS:   20 15:53:24      -58.434351         0.054256
BFGS:   21 15:53:24      -58.434491         0.008984
BFGS:   22 15:53:24      -58.434498         0.000654
BFGS:   23 15:53:24      -58.434498         0.000178
BFGS:   24 15:53:24      -58.434498         0.000055
BFGS:   25 15:53:24      -58.434498         0.000008
BFGS:   26 15:53:24      -58.434498         0.000001
BFGS:   27 15:53:24      -58.434498         0.000000
BFGS:   28 15:53:24      -58.434498         0.000000
Minimization converged after 28 steps.
Maximum force component: 3.836703788007157e-09 eV/Angstrom
Maximum stress component: 6.125686166235751e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.91360300e-01 0.00000000e+00 0.00000000e+00]
 [4.08639700e-01 0.00000000e+00 1.27026873e-35]
 [9.13602998e-02 5.00000000e-01 0.00000000e+00]
 [9.08639700e-01 5.00000000e-01 1.10981360e-35]
 [6.92594414e-01 1.24602329e-36 5.00000000e-01]
 [3.07405586e-01 0.00000000e+00 5.00000000e-01]
 [1.92594414e-01 5.00000000e-01 5.00000000e-01]
 [8.07405586e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[7.896899800565488, -1.602796486976319e-35, 0.0], [1.172416764029272e-35, 2.5105728172712984, 0.0], [0.0, 0.0, 2.5252805788744235]])
forces =  [[-3.83670379e-09  7.90036030e-45  0.00000000e+00]
 [ 3.83670379e-09 -7.78717662e-45  0.00000000e+00]
 [-3.83670379e-09  7.78717662e-45  0.00000000e+00]
 [ 3.83670379e-09 -7.90035652e-45  0.00000000e+00]
 [-1.44167342e-09  1.54725996e-32  3.11264863e-32]
 [ 1.44167342e-09 -2.92609651e-45  0.00000000e+00]
 [-1.44167342e-09  6.18903983e-32  0.00000000e+00]
 [ 1.44167342e-09 -3.09451991e-32  0.00000000e+00]]
stress =  [ 6.12568617e-10 -1.79324669e-10  3.61070240e-12  0.00000000e+00
  0.00000000e+00  2.48685808e-33]
energy per atom =  -7.304312214046044
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0