element(s):
['C']
AFLOW prototype label:
A_cF16_227_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8232']
model name:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  227
cell =  [[4.8232, 0, 0], [0, 4.8232, 0], [0, 0, 4.8232]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:05:25      -48.694752         4.092986
BFGS:    1 15:05:25      -49.294168         3.900047
BFGS:    2 15:05:25      -49.865013         3.712037
BFGS:    3 15:05:25      -50.408020         3.528852
BFGS:    4 15:05:25      -50.923905         3.350386
BFGS:    5 15:05:25      -51.413367         3.176535
BFGS:    6 15:05:25      -51.877091         3.007201
BFGS:    7 15:05:25      -52.315748         2.842283
BFGS:    8 15:05:25      -52.729992         2.681686
BFGS:    9 15:05:25      -53.120465         2.525315
BFGS:   10 15:05:25      -53.487793         2.373077
BFGS:   11 15:05:25      -53.832590         2.224882
BFGS:   12 15:05:25      -54.155455         2.080640
BFGS:   13 15:05:25      -54.456976         1.940265
BFGS:   14 15:05:25      -54.737724         1.803670
BFGS:   15 15:05:25      -54.998262         1.670773
BFGS:   16 15:05:25      -55.239137         1.541491
BFGS:   17 15:05:25      -55.460886         1.415745
BFGS:   18 15:05:25      -55.664206         1.303622
BFGS:   19 15:05:25      -55.853277         1.213036
BFGS:   20 15:05:26      -56.026804         1.096219
BFGS:   21 15:05:26      -56.180789         0.952347
BFGS:   22 15:05:26      -56.311126         0.780835
BFGS:   23 15:05:26      -56.413640         0.581328
BFGS:   24 15:05:26      -56.484118         0.353699
BFGS:   25 15:05:26      -56.518348         0.098042
BFGS:   26 15:05:26      -56.520975         0.007377
BFGS:   27 15:05:26      -56.520989         0.000132
BFGS:   28 15:05:26      -56.520989         0.000000
BFGS:   29 15:05:26      -56.520989         0.000000
Minimization converged after 29 steps.
Maximum force component: 9.410346190287793e-31 eV/Angstrom
Maximum stress component: 4.916548443152796e-13 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 =  [[0.125 0.125 0.125]
 [0.875 0.375 0.625]
 [0.375 0.625 0.875]
 [0.625 0.875 0.375]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.125 0.625 0.625]
 [0.875 0.875 0.125]
 [0.375 0.125 0.375]
 [0.375 0.375 0.125]
 [0.875 0.125 0.875]
 [0.625 0.125 0.625]
 [0.125 0.875 0.875]
 [0.125 0.375 0.375]
 [0.625 0.625 0.125]]
cellpar =  Cell([[5.20539534391582, -6.1021659266957465e-34, 9.812744586902567e-33], [-1.3244480537874357e-33, 5.20539534391582, 4.271222789909917e-17], [1.2239194955073404e-32, 4.271222789909917e-17, 5.20539534391582]])
forces =  [[-4.27743009e-32 -1.71097203e-31 -1.40391695e-48]
 [-4.27743009e-32 -2.99420106e-31 -1.28322903e-31]
 [-4.81210885e-31  2.45952230e-31  1.06935752e-32]
 [-1.28322903e-31  4.27743009e-32  9.41034619e-31]
 [-2.67339380e-31  5.88146637e-32  1.17629327e-31]
 [-2.56645805e-31 -3.42194407e-31  4.27743009e-31]
 [ 1.28322903e-31  8.55486017e-32  6.41614513e-32]
 [-2.13871504e-32 -7.48550265e-32 -1.06935752e-32]
 [-2.56645805e-31  2.56645805e-31  2.13871504e-31]
 [ 8.55486017e-32  8.55486017e-32 -2.13871504e-31]
 [-3.80525824e-64 -8.55486017e-32 -1.71097203e-31]
 [ 4.27743009e-32  2.13871504e-31  2.13871504e-31]
 [ 4.27743009e-32 -1.71097203e-31 -1.40391695e-48]
 [-6.41614513e-32 -2.40605442e-31 -8.55486017e-32]
 [-2.99420106e-31  3.50979237e-48  4.27743009e-31]
 [ 1.28322903e-31 -6.41614513e-32 -5.26468856e-49]]
stress =  [ 4.91654844e-13  4.91654844e-13  4.91654844e-13  1.05856925e-28
 -7.58161577e-35  1.29867421e-51]
energy per atom =  -3.532561833757452
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0