element(s):
['C']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3798', '0.57333668', '0.81976373']
model name:
Tersoff_LAMMPS_Tersoff_1989_SiC__MO_171585019474_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.81976373 0.81976373 0.        ]]
spacegroup =  139
cell =  [[4.3798, 0, 0], [0, 4.3798, 0], [0, 0, 2.5111]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:29:31      -55.700475         2.876308
BFGS:    1 16:29:31      -55.669563         3.252820
BFGS:    2 16:29:31      -55.940808         0.427594
BFGS:    3 16:29:31      -55.944079         0.390804
BFGS:    4 16:29:31      -55.954931         0.201479
BFGS:    5 16:29:31      -55.957714         0.129832
BFGS:    6 16:29:31      -55.958304         0.024790
BFGS:    7 16:29:31      -55.958335         0.016811
BFGS:    8 16:29:31      -55.958350         0.015136
BFGS:    9 16:29:31      -55.958378         0.016270
BFGS:   10 16:29:31      -55.958397         0.012802
BFGS:   11 16:29:31      -55.958403         0.004079
BFGS:   12 16:29:31      -55.958403         0.000437
BFGS:   13 16:29:31      -55.958403         0.000023
BFGS:   14 16:29:31      -55.958403         0.000002
BFGS:   15 16:29:31      -55.958403         0.000000
BFGS:   16 16:29:31      -55.958403         0.000000
Minimization converged after 16 steps.
Maximum force component: 3.1630902651794577e-10 eV/Angstrom
Maximum stress component: 4.5962834687385205e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.81647362 0.81647362 0.        ]
 [0.18352638 0.18352638 0.        ]
 [0.18352638 0.81647362 0.        ]
 [0.81647362 0.18352638 0.        ]
 [0.31647362 0.31647362 0.5       ]
 [0.68352638 0.68352638 0.5       ]
 [0.68352638 0.31647362 0.5       ]
 [0.31647362 0.68352638 0.5       ]]
cellpar =  Cell([[4.395422788374496, 9.915370177634182e-37, -1.218543671557519e-33], [-5.9088594542297104e-37, 4.395422788374497, 7.859322007546705e-19], [1.1228434239527308e-32, 4.497081828720588e-19, 2.5353615263560587]])
forces =  [[ 3.16309027e-10  3.16309027e-10  5.65582565e-29]
 [-3.16309027e-10 -3.16309027e-10 -5.65582565e-29]
 [-3.16309027e-10  3.16309027e-10  5.65582565e-29]
 [ 3.16309027e-10 -3.16309027e-10 -5.65582565e-29]
 [ 3.16309027e-10  3.16309027e-10  5.65582565e-29]
 [-3.16309027e-10 -3.16309027e-10 -5.65582565e-29]
 [-3.16309027e-10  3.16309027e-10  5.65582565e-29]
 [ 3.16309027e-10 -3.16309027e-10 -5.65582565e-29]]
stress =  [-2.30329073e-11 -2.30329073e-11  4.59628347e-11 -5.00001001e-27
  1.69733980e-43 -1.59493712e-59]
energy per atom =  -6.994800412465689
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0