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 15:42:32      -95.605877         4.542054
BFGS:    1 15:42:32      -96.595650         2.478920
BFGS:    2 15:42:32      -96.959035         1.133254
BFGS:    3 15:42:32      -97.019030         1.080347
BFGS:    4 15:42:33      -97.170662         0.937267
BFGS:    5 15:42:33      -97.301143         0.797977
BFGS:    6 15:42:33      -97.410970         0.662386
BFGS:    7 15:42:33      -97.500684         0.530416
BFGS:    8 15:42:33      -97.570819         0.401996
BFGS:    9 15:42:33      -97.621899         0.277056
BFGS:   10 15:42:33      -97.654435         0.155528
BFGS:   11 15:42:33      -97.668929         0.037351
BFGS:   12 15:42:33      -97.669836         0.000741
BFGS:   13 15:42:33      -97.669836         0.000126
BFGS:   14 15:42:33      -97.669836         0.000023
BFGS:   15 15:42:33      -97.669836         0.000000
BFGS:   16 15:42:33      -97.669836         0.000000
Minimization converged after 16 steps.
Maximum force component: 6.591080438921491e-10 eV/Angstrom
Maximum stress component: 1.7335587552535855e-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, -1.0826036643006336e-32, 4.54181947764155e-33], [-1.3520337635462103e-32, 5.017318142237955, 1.3356913716592986e-19], [1.0305821546698122e-32, 1.3356913716592813e-19, 5.017318142237955]])
forces =  [[-6.59108044e-10 -6.59108044e-10 -6.59108044e-10]
 [ 6.59108044e-10  6.59108044e-10 -6.59108044e-10]
 [ 6.59108044e-10 -6.59108044e-10  6.59108044e-10]
 [-6.59108044e-10  6.59108044e-10  6.59108044e-10]
 [-6.59108044e-10 -6.59108044e-10  6.59108044e-10]
 [ 6.59108044e-10  6.59108044e-10  6.59108044e-10]
 [-6.59108044e-10  6.59108044e-10 -6.59108044e-10]
 [ 6.59108044e-10 -6.59108044e-10 -6.59108044e-10]
 [-6.59108044e-10 -6.59108044e-10 -6.59108044e-10]
 [ 6.59108044e-10  6.59108044e-10 -6.59108044e-10]
 [ 6.59108044e-10 -6.59108044e-10  6.59108044e-10]
 [-6.59108044e-10  6.59108044e-10  6.59108044e-10]
 [-6.59108044e-10 -6.59108044e-10  6.59108044e-10]
 [ 6.59108044e-10  6.59108044e-10  6.59108044e-10]
 [-6.59108044e-10  6.59108044e-10 -6.59108044e-10]
 [ 6.59108044e-10 -6.59108044e-10 -6.59108044e-10]]
stress =  [ 1.73355876e-10  1.73355876e-10  1.73355876e-10 -4.84909377e-27
 -1.30570754e-33  2.73244101e-50]
energy per atom =  -6.104364762219297
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0