element(s):
['C']
AFLOW prototype label:
A_cI16_206_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4773', '0.15607601']
model name:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.15607601 0.15607601 0.15607601]]
spacegroup =  206
cell =  [[4.4773, 0, 0], [0, 4.4773, 0], [0, 0, 4.4773]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:37:30      -95.801656        4.2124
BFGS:    1 17:37:30      -97.361555        0.0236
BFGS:    2 17:37:30      -97.361638        0.0207
BFGS:    3 17:37:30      -97.361666        0.0187
BFGS:    4 17:37:30      -97.361710        0.0153
BFGS:    5 17:37:30      -97.361794        0.0187
BFGS:    6 17:37:30      -97.361867        0.0156
BFGS:    7 17:37:30      -97.361898        0.0059
BFGS:    8 17:37:30      -97.361902        0.0008
BFGS:    9 17:37:30      -97.361902        0.0001
BFGS:   10 17:37:30      -97.361902        0.0000
BFGS:   11 17:37:30      -97.361902        0.0000
BFGS:   12 17:37:30      -97.361902        0.0000
Minimization converged after 12 steps.
Maximum force component: 9.676132230532213e-10 eV/Angstrom
Maximum stress component: 1.5579518647985406e-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 =  [[0.14965013 0.14965013 0.14965013]
 [0.35034987 0.85034987 0.64965013]
 [0.85034987 0.64965013 0.35034987]
 [0.64965013 0.35034987 0.85034987]
 [0.64965013 0.64965013 0.64965013]
 [0.85034987 0.35034987 0.14965013]
 [0.35034987 0.14965013 0.85034987]
 [0.14965013 0.85034987 0.35034987]
 [0.85034987 0.85034987 0.85034987]
 [0.64965013 0.14965013 0.35034987]
 [0.14965013 0.35034987 0.64965013]
 [0.35034987 0.64965013 0.14965013]
 [0.35034987 0.35034987 0.35034987]
 [0.14965013 0.64965013 0.85034987]
 [0.64965013 0.85034987 0.14965013]
 [0.85034987 0.14965013 0.64965013]]
cellpar =  Cell([[4.476505311971834, 2.0147646576631322e-38, 0.0], [-1.2464320195538005e-38, 4.476505311971834, 0.0], [0.0, 0.0, 4.476505311971834]])
forces =  [[ 9.67613223e-10  9.67613223e-10  9.67613223e-10]
 [-9.67613223e-10 -9.67613223e-10  9.67613223e-10]
 [-9.67613223e-10  9.67613223e-10 -9.67613223e-10]
 [ 9.67613223e-10 -9.67613223e-10 -9.67613223e-10]
 [ 9.67613223e-10  9.67613223e-10  9.67613223e-10]
 [-9.67613223e-10 -9.67613223e-10  9.67613223e-10]
 [-9.67613223e-10  9.67613223e-10 -9.67613223e-10]
 [ 9.67613223e-10 -9.67613223e-10 -9.67613223e-10]
 [-9.67613223e-10 -9.67613223e-10 -9.67613223e-10]
 [ 9.67613223e-10  9.67613223e-10 -9.67613223e-10]
 [ 9.67613223e-10 -9.67613223e-10  9.67613223e-10]
 [-9.67613223e-10  9.67613223e-10  9.67613223e-10]
 [-9.67613223e-10 -9.67613223e-10 -9.67613223e-10]
 [ 9.67613223e-10  9.67613223e-10 -9.67613223e-10]
 [ 9.67613223e-10 -9.67613223e-10  9.67613223e-10]
 [-9.67613223e-10  9.67613223e-10  9.67613223e-10]]
stress =  [ 1.55795186e-10  1.55795186e-10  1.55795186e-10  0.00000000e+00
  0.00000000e+00 -1.61936364e-64]
energy per atom =  -6.085118890307228
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0