element(s):
['C']
AFLOW prototype label:
A_cP20_221_gj
Parameter names:
['a', 'x1', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.215', '0.26228631', '0.15146094']
model name:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.26228631 0.26228631 0.26228631]
 [0.5        0.15146094 0.15146094]]
spacegroup =  221
cell =  [[5.215, 0, 0], [0, 5.215, 0], [0, 0, 5.215]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:19:54     -138.705086        1.0620
BFGS:    1 14:19:54     -138.868805        0.6885
BFGS:    2 14:19:54     -138.940629        0.4965
BFGS:    3 14:19:54     -138.966000        0.4680
BFGS:    4 14:19:54     -138.983735        0.4311
BFGS:    5 14:19:54     -139.027508        0.4010
BFGS:    6 14:19:54     -139.065490        0.4191
BFGS:    7 14:19:54     -139.097472        0.3282
BFGS:    8 14:19:54     -139.116791        0.1267
BFGS:    9 14:19:54     -139.118562        0.0293
BFGS:   10 14:19:54     -139.118719        0.0037
BFGS:   11 14:19:54     -139.118730        0.0004
BFGS:   12 14:19:54     -139.118730        0.0001
BFGS:   13 14:19:54     -139.118730        0.0000
BFGS:   14 14:19:54     -139.118730        0.0000
BFGS:   15 14:19:54     -139.118730        0.0000
BFGS:   16 14:19:54     -139.118730        0.0000
Minimization converged after 16 steps.
Maximum force component: 1.6814908318041489e-09 eV/Angstrom
Maximum stress component: 1.2768911120501852e-11 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', 'C', 'C', 'C', 'C']
basis =  [[0.26613284 0.26613284 0.26613284]
 [0.73386716 0.73386716 0.26613284]
 [0.73386716 0.26613284 0.73386716]
 [0.26613284 0.73386716 0.73386716]
 [0.26613284 0.26613284 0.73386716]
 [0.73386716 0.73386716 0.73386716]
 [0.26613284 0.73386716 0.26613284]
 [0.73386716 0.26613284 0.26613284]
 [0.5        0.15414225 0.15414225]
 [0.5        0.84585775 0.15414225]
 [0.5        0.15414225 0.84585775]
 [0.5        0.84585775 0.84585775]
 [0.15414225 0.5        0.15414225]
 [0.15414225 0.5        0.84585775]
 [0.84585775 0.5        0.15414225]
 [0.84585775 0.5        0.84585775]
 [0.15414225 0.15414225 0.5       ]
 [0.84585775 0.15414225 0.5       ]
 [0.15414225 0.84585775 0.5       ]
 [0.84585775 0.84585775 0.5       ]]
cellpar =  Cell([[5.281184169724717, -1.8146295379349366e-32, 2.600674146906998e-32], [4.983967783003355e-32, 5.281184169724717, -3.2221142005539873e-18], [2.0047765874863805e-32, -3.2221142005539527e-18, 5.281184169724717]])
forces =  [[-5.01966034e-10 -5.01966034e-10 -5.01966034e-10]
 [ 5.01966034e-10  5.01966034e-10 -5.01966034e-10]
 [ 5.01966034e-10 -5.01966034e-10  5.01966034e-10]
 [-5.01966034e-10  5.01966034e-10  5.01966034e-10]
 [-5.01966034e-10 -5.01966034e-10  5.01966034e-10]
 [ 5.01966034e-10  5.01966034e-10  5.01966034e-10]
 [-5.01966034e-10  5.01966034e-10 -5.01966034e-10]
 [ 5.01966034e-10 -5.01966034e-10 -5.01966034e-10]
 [-8.67941610e-32 -1.68149083e-09 -1.68149083e-09]
 [-6.50956207e-32  1.68149083e-09 -1.68149083e-09]
 [-2.60382483e-31 -1.68149083e-09  1.68149083e-09]
 [ 3.47176644e-31  1.68149083e-09  1.68149083e-09]
 [-1.68149083e-09  1.02555067e-27 -1.68149083e-09]
 [-1.68149083e-09 -1.02607144e-27  1.68149083e-09]
 [ 1.68149083e-09  1.02598464e-27 -1.68149083e-09]
 [ 1.68149083e-09 -1.02554932e-27  1.68149083e-09]
 [-1.68149083e-09 -1.68149083e-09  1.02555067e-27]
 [ 1.68149083e-09 -1.68149083e-09  1.02572426e-27]
 [-1.68149083e-09  1.68149083e-09 -1.02581106e-27]
 [ 1.68149083e-09  1.68149083e-09 -1.02555067e-27]]
stress =  [ 1.27689111e-11  1.27689111e-11  1.27689111e-11 -5.07303394e-28
  5.89245902e-34  9.51682190e-50]
energy per atom =  -6.9559365184985795
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0