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_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== 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 09:48:36      -50.740859         1.161892
BFGS:    1 09:48:37      -50.825130         1.286942
BFGS:    2 09:48:37      -50.871893         1.102660
BFGS:    3 09:48:37      -50.959524         0.754742
BFGS:    4 09:48:37      -51.018019         0.455784
BFGS:    5 09:48:37      -51.050125         0.182165
BFGS:    6 09:48:37      -51.057500         0.015040
BFGS:    7 09:48:37      -51.057519         0.012253
BFGS:    8 09:48:37      -51.057525         0.011975
BFGS:    9 09:48:37      -51.057538         0.008900
BFGS:   10 09:48:37      -51.057551         0.010707
BFGS:   11 09:48:37      -51.057562         0.007351
BFGS:   12 09:48:37      -51.057565         0.002208
BFGS:   13 09:48:37      -51.057565         0.000192
BFGS:   14 09:48:37      -51.057565         0.000018
BFGS:   15 09:48:37      -51.057565         0.000001
BFGS:   16 09:48:37      -51.057565         0.000000
BFGS:   17 09:48:37      -51.057565         0.000000
BFGS:   18 09:48:37      -51.057565         0.000000
Minimization converged after 18 steps.
Maximum force component: 2.0121633916100006e-09 eV/Angstrom
Maximum stress component: 1.3972193701837898e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[8.17580257e-01 8.17580257e-01 1.49343821e-33]
 [1.82419743e-01 1.82419743e-01 1.49343821e-34]
 [1.82419743e-01 8.17580257e-01 8.96062928e-34]
 [8.17580257e-01 1.82419743e-01 0.00000000e+00]
 [3.17580257e-01 3.17580257e-01 5.00000000e-01]
 [6.82419743e-01 6.82419743e-01 5.00000000e-01]
 [6.82419743e-01 3.17580257e-01 5.00000000e-01]
 [3.17580257e-01 6.82419743e-01 5.00000000e-01]]
cellpar =  Cell([[4.467222761086805, 9.002467363106193e-36, -1.5788538217671836e-32], [4.782961599472024e-36, 4.467222761086805, -6.488788933633069e-18], [2.6733379956105493e-33, -3.748366959375413e-18, 2.5791893185427415]])
forces =  [[ 2.01216339e-09  2.01216339e-09 -2.92273393e-27]
 [-2.01216339e-09 -2.01216339e-09  2.92271804e-27]
 [-2.01216339e-09  2.01216339e-09 -2.92273393e-27]
 [ 2.01216339e-09 -2.01216339e-09  2.92273393e-27]
 [ 2.01216339e-09  2.01216339e-09 -2.92274585e-27]
 [-2.01216339e-09 -2.01216339e-09  2.92267035e-27]
 [-2.01216339e-09  2.01216339e-09 -2.92267035e-27]
 [ 2.01216339e-09 -2.01216339e-09  2.92273393e-27]]
stress =  [-1.39721937e-10 -1.39721937e-10 -8.40338331e-11  2.39807141e-26
  2.13958539e-33  7.35035382e-50]
energy per atom =  -6.382195615752963
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0