element(s):
['C']
AFLOW prototype label:
A_oC16_65_pq
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'y1', 'x2', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2547', '2.0610619', '0.59089948', '0.18519352', '0.16660457', '0.18446938', '0.41082374']
model name:
Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.18519352 0.16660457 0.        ]
 [0.18446938 0.41082374 0.5       ]]
spacegroup =  65
cell =  [[4.2547, 0, 0], [0, 8.7692, 0], [0, 0, 2.5141]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:43:18     -115.637833         0.877793
BFGS:    1 16:43:19     -115.708759         0.346141
BFGS:    2 16:43:19     -115.718488         0.327521
BFGS:    3 16:43:19     -115.721338         0.319156
BFGS:    4 16:43:19     -115.728941         0.268633
BFGS:    5 16:43:20     -115.737777         0.196296
BFGS:    6 16:43:20     -115.744570         0.124688
BFGS:    7 16:43:20     -115.746319         0.089005
BFGS:    8 16:43:20     -115.746642         0.085643
BFGS:    9 16:43:21     -115.746922         0.078556
BFGS:   10 16:43:21     -115.747578         0.059902
BFGS:   11 16:43:21     -115.748496         0.066935
BFGS:   12 16:43:21     -115.749276         0.046534
BFGS:   13 16:43:21     -115.749536         0.014033
BFGS:   14 16:43:22     -115.749566         0.007019
BFGS:   15 16:43:22     -115.749567         0.005685
BFGS:   16 16:43:22     -115.749568         0.004982
BFGS:   17 16:43:22     -115.749572         0.004898
BFGS:   18 16:43:22     -115.749578         0.005053
BFGS:   19 16:43:22     -115.749585         0.003583
BFGS:   20 16:43:22     -115.749589         0.001287
BFGS:   21 16:43:22     -115.749589         0.000338
BFGS:   22 16:43:22     -115.749589         0.000033
BFGS:   23 16:43:22     -115.749589         0.000002
BFGS:   24 16:43:22     -115.749589         0.000000
BFGS:   25 16:43:22     -115.749589         0.000000
Minimization converged after 25 steps.
Maximum force component: 2.232961048703741e-09 eV/Angstrom
Maximum stress component: 2.632648404408775e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.82516309e-01 1.67284052e-01 1.17201110e-36]
 [8.17483691e-01 8.32715948e-01 0.00000000e+00]
 [8.17483691e-01 1.67284052e-01 1.43004627e-35]
 [1.82516309e-01 8.32715948e-01 0.00000000e+00]
 [6.82516309e-01 6.67284052e-01 1.56598319e-36]
 [3.17483691e-01 3.32715948e-01 0.00000000e+00]
 [3.17483691e-01 6.67284052e-01 1.40614838e-35]
 [6.82516309e-01 3.32715948e-01 0.00000000e+00]
 [1.87849932e-01 4.10463328e-01 5.00000000e-01]
 [8.12150068e-01 5.89536672e-01 5.00000000e-01]
 [8.12150068e-01 4.10463328e-01 5.00000000e-01]
 [1.87849932e-01 5.89536672e-01 5.00000000e-01]
 [6.87849932e-01 9.10463328e-01 5.00000000e-01]
 [3.12150068e-01 8.95366720e-02 5.00000000e-01]
 [3.12150068e-01 9.10463328e-01 5.00000000e-01]
 [6.87849932e-01 8.95366720e-02 5.00000000e-01]]
cellpar =  Cell([[4.20635896612892, -5.461587558047644e-37, 0.0], [-2.9215370065241963e-37, 8.744345591981592, 0.0], [0.0, 0.0, 2.5168229796378396]])
forces =  [[ 1.31434622e-09 -8.42494643e-10  3.10222383e-32]
 [-1.31434622e-09  8.42494643e-10  0.00000000e+00]
 [-1.31434622e-09 -8.42494643e-10  1.78377870e-31]
 [ 1.31434622e-09  8.42494643e-10  0.00000000e+00]
 [ 1.31434622e-09 -8.42494643e-10  0.00000000e+00]
 [-1.31434622e-09  8.42494643e-10 -6.20444767e-32]
 [-1.31434622e-09 -8.42494643e-10  7.75555959e-32]
 [ 1.31434622e-09  8.42494643e-10  0.00000000e+00]
 [ 2.23296105e-09 -2.03035008e-09  0.00000000e+00]
 [-2.23296105e-09  2.03035008e-09  0.00000000e+00]
 [-2.23296105e-09 -2.03035008e-09  0.00000000e+00]
 [ 2.23296105e-09  2.03035008e-09 -1.55111192e-32]
 [ 2.23296105e-09 -2.03035008e-09  0.00000000e+00]
 [-2.23296105e-09  2.03035008e-09  9.30667150e-32]
 [-2.23296105e-09 -2.03035008e-09  0.00000000e+00]
 [ 2.23296105e-09  2.03035008e-09  6.20444767e-32]]
stress =  [-1.55978850e-10  1.95558256e-10  2.63264840e-10  0.00000000e+00
  0.00000000e+00 -5.36175292e-33]
energy per atom =  -7.234349338134558
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0