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_1988_C__MO_579868029681_004
==== 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      -95.605877        4.5421
BFGS:    1 17:44:14      -96.595650        2.4789
BFGS:    2 17:44:14      -96.959035        1.1333
BFGS:    3 17:44:14      -97.019030        1.0803
BFGS:    4 17:44:14      -97.170662        0.9373
BFGS:    5 17:44:14      -97.301143        0.7980
BFGS:    6 17:44:14      -97.410970        0.6624
BFGS:    7 17:44:14      -97.500684        0.5304
BFGS:    8 17:44:14      -97.570819        0.4020
BFGS:    9 17:44:14      -97.621899        0.2771
BFGS:   10 17:44:14      -97.654435        0.1555
BFGS:   11 17:44:14      -97.668929        0.0374
BFGS:   12 17:44:14      -97.669836        0.0007
BFGS:   13 17:44:14      -97.669836        0.0001
BFGS:   14 17:44:14      -97.669836        0.0000
BFGS:   15 17:44:14      -97.669836        0.0000
BFGS:   16 17:44:14      -97.669836        0.0000
Minimization converged after 16 steps.
Maximum force component: 6.591069834094545e-10 eV/Angstrom
Maximum stress component: 1.7335525201212032e-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 =  [[0.16670445 0.16670445 0.16670445]
 [0.83329555 0.83329555 0.16670445]
 [0.83329555 0.16670445 0.83329555]
 [0.16670445 0.83329555 0.83329555]
 [0.16670445 0.16670445 0.83329555]
 [0.83329555 0.83329555 0.83329555]
 [0.16670445 0.83329555 0.16670445]
 [0.83329555 0.16670445 0.16670445]
 [0.66670445 0.66670445 0.66670445]
 [0.33329555 0.33329555 0.66670445]
 [0.33329555 0.66670445 0.33329555]
 [0.66670445 0.33329555 0.33329555]
 [0.66670445 0.66670445 0.33329555]
 [0.33329555 0.33329555 0.33329555]
 [0.66670445 0.33329555 0.66670445]
 [0.33329555 0.66670445 0.66670445]]
cellpar =  Cell([[5.017318142237955, 5.99945325892527e-33, -6.636883732464976e-33], [1.8078448710227633e-32, 5.017318142237955, 1.2347360820336672e-17], [3.531537815684328e-32, 1.2347360820336636e-17, 5.017318142237955]])
forces =  [[-6.59106983e-10 -6.59106983e-10 -6.59106983e-10]
 [ 6.59106983e-10  6.59106983e-10 -6.59106983e-10]
 [ 6.59106983e-10 -6.59106983e-10  6.59106983e-10]
 [-6.59106983e-10  6.59106983e-10  6.59106983e-10]
 [-6.59106983e-10 -6.59106983e-10  6.59106983e-10]
 [ 6.59106983e-10  6.59106983e-10  6.59106983e-10]
 [-6.59106983e-10  6.59106983e-10 -6.59106983e-10]
 [ 6.59106983e-10 -6.59106983e-10 -6.59106983e-10]
 [-6.59106983e-10 -6.59106983e-10 -6.59106983e-10]
 [ 6.59106983e-10  6.59106983e-10 -6.59106983e-10]
 [ 6.59106983e-10 -6.59106983e-10  6.59106983e-10]
 [-6.59106983e-10  6.59106983e-10  6.59106983e-10]
 [-6.59106983e-10 -6.59106983e-10  6.59106983e-10]
 [ 6.59106983e-10  6.59106983e-10  6.59106983e-10]
 [-6.59106983e-10  6.59106983e-10 -6.59106983e-10]
 [ 6.59106983e-10 -6.59106983e-10 -6.59106983e-10]]
stress =  [ 1.73355252e-10  1.73355252e-10  1.73355252e-10  3.57691423e-26
  6.52853770e-34 -3.96732066e-50]
energy per atom =  -6.104364762219293
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0