element(s):
['C']
AFLOW prototype label:
A_cI16_229_f
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8764', '0.16261302']
model name:
Tersoff_LAMMPS_Tersoff_1994_SiC__MO_794973922560_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.16261302 0.16261302 0.16261302]]
spacegroup =  229
cell =  [[4.8764, 0, 0], [0, 4.8764, 0], [0, 0, 4.8764]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:44:14      -91.726951        2.5097
BFGS:    1 17:44:14      -91.843786        2.4004
BFGS:    2 17:44:14      -92.266869        1.5990
BFGS:    3 17:44:14      -92.423448        1.4611
BFGS:    4 17:44:14      -92.618488        1.2945
BFGS:    5 17:44:14      -92.797699        1.1420
BFGS:    6 17:44:14      -92.962061        0.9982
BFGS:    7 17:44:14      -93.109667        0.8607
BFGS:    8 17:44:14      -93.238976        0.7286
BFGS:    9 17:44:14      -93.349150        0.6012
BFGS:   10 17:44:14      -93.439887        0.4782
BFGS:   11 17:44:14      -93.511218        0.3594
BFGS:   12 17:44:14      -93.563359        0.2495
BFGS:   13 17:44:14      -93.596615        0.1525
BFGS:   14 17:44:14      -93.611304        0.0511
BFGS:   15 17:44:14      -93.612136        0.0143
BFGS:   16 17:44:14      -93.612147        0.0078
BFGS:   17 17:44:14      -93.612152        0.0003
BFGS:   18 17:44:14      -93.612152        0.0000
BFGS:   19 17:44:14      -93.612152        0.0000
BFGS:   20 17:44:14      -93.612152        0.0000
BFGS:   21 17:44:14      -93.612152        0.0000
Minimization converged after 21 steps.
Maximum force component: 4.292989356546521e-11 eV/Angstrom
Maximum stress component: 1.1784710140928758e-11 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 =  [[0.1595818 0.1595818 0.1595818]
 [0.8404182 0.8404182 0.1595818]
 [0.8404182 0.1595818 0.8404182]
 [0.1595818 0.8404182 0.8404182]
 [0.1595818 0.1595818 0.8404182]
 [0.8404182 0.8404182 0.8404182]
 [0.1595818 0.8404182 0.1595818]
 [0.8404182 0.1595818 0.1595818]
 [0.6595818 0.6595818 0.6595818]
 [0.3404182 0.3404182 0.6595818]
 [0.3404182 0.6595818 0.3404182]
 [0.6595818 0.3404182 0.3404182]
 [0.6595818 0.6595818 0.3404182]
 [0.3404182 0.3404182 0.3404182]
 [0.6595818 0.3404182 0.6595818]
 [0.3404182 0.6595818 0.6595818]]
cellpar =  Cell([[5.070687880328353, -1.0942721932954747e-32, 5.7475446567772676e-33], [-1.4421339005121413e-32, 5.070687880328353, -5.734610197803023e-18], [-5.767078708574068e-33, -5.734610197803027e-18, 5.070687880328353]])
forces =  [[ 4.29298936e-11  4.29298936e-11  4.29298936e-11]
 [-4.29298936e-11 -4.29298936e-11  4.29298936e-11]
 [-4.29298936e-11  4.29298936e-11 -4.29298936e-11]
 [ 4.29298936e-11 -4.29298936e-11 -4.29298936e-11]
 [ 4.29298936e-11  4.29298936e-11 -4.29298936e-11]
 [-4.29298936e-11 -4.29298936e-11 -4.29298936e-11]
 [ 4.29298936e-11 -4.29298936e-11  4.29298936e-11]
 [-4.29298936e-11  4.29298936e-11  4.29298936e-11]
 [ 4.29298936e-11  4.29298936e-11  4.29298936e-11]
 [-4.29298936e-11 -4.29298936e-11  4.29298936e-11]
 [-4.29298936e-11  4.29298936e-11 -4.29298936e-11]
 [ 4.29298936e-11 -4.29298936e-11 -4.29298936e-11]
 [ 4.29298936e-11  4.29298936e-11 -4.29298936e-11]
 [-4.29298936e-11 -4.29298936e-11 -4.29298936e-11]
 [ 4.29298936e-11 -4.29298936e-11  4.29298936e-11]
 [-4.29298936e-11  4.29298936e-11  4.29298936e-11]]
stress =  [-1.17847101e-11 -1.17847101e-11 -1.17847101e-11 -3.51960438e-30
  6.39183328e-34 -6.94634892e-52]
energy per atom =  -5.850759514217736
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0