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 14:58:42      -48.694752         4.092986
BFGS:    1 14:58:42      -49.294168         3.900047
BFGS:    2 14:58:42      -49.865013         3.712037
BFGS:    3 14:58:42      -50.408020         3.528852
BFGS:    4 14:58:42      -50.923905         3.350386
BFGS:    5 14:58:42      -51.413367         3.176535
BFGS:    6 14:58:42      -51.877091         3.007201
BFGS:    7 14:58:42      -52.315748         2.842283
BFGS:    8 14:58:42      -52.729992         2.681686
BFGS:    9 14:58:42      -53.120465         2.525315
BFGS:   10 14:58:42      -53.487793         2.373077
BFGS:   11 14:58:42      -53.832590         2.224882
BFGS:   12 14:58:42      -54.155455         2.080640
BFGS:   13 14:58:42      -54.456976         1.940265
BFGS:   14 14:58:42      -54.737724         1.803670
BFGS:   15 14:58:42      -54.998262         1.670773
BFGS:   16 14:58:42      -55.239137         1.541491
BFGS:   17 14:58:42      -55.460886         1.415745
BFGS:   18 14:58:42      -55.664206         1.303622
BFGS:   19 14:58:42      -55.853277         1.213036
BFGS:   20 14:58:42      -56.026804         1.096219
BFGS:   21 14:58:42      -56.180789         0.952347
BFGS:   22 14:58:42      -56.311126         0.780835
BFGS:   23 14:58:42      -56.413640         0.581328
BFGS:   24 14:58:42      -56.484118         0.353699
BFGS:   25 14:58:42      -56.518348         0.098042
BFGS:   26 14:58:42      -56.520975         0.007377
BFGS:   27 14:58:42      -56.520989         0.000132
BFGS:   28 14:58:43      -56.520989         0.000000
BFGS:   29 14:58:43      -56.520989         0.000000
Minimization converged after 29 steps.
Maximum force component: 1.112131822488557e-30 eV/Angstrom
Maximum stress component: 4.887481525598285e-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([[5.205395343915818, 2.9313323527095982e-34, 7.234460432608079e-33], [9.3364119006309e-33, 5.205395343915818, 7.309635348173606e-17], [-6.94906674508568e-33, 7.309635348173614e-17, 5.205395343915818]])
forces =  [[-1.71097203e-31  8.55486017e-32 -3.42194407e-31]
 [-8.55486017e-32 -1.71097203e-31  2.56645805e-31]
 [-8.47421241e-64 -7.27163115e-31 -3.42194407e-31]
 [-8.55486017e-32  8.55486017e-32  2.56645805e-31]
 [ 8.12711716e-31 -2.56645805e-31 -5.98840212e-31]
 [ 9.41034619e-31 -1.71097203e-31 -2.40261898e-48]
 [ 4.27743009e-31 -8.55486017e-32 -2.56645805e-31]
 [ 5.53158232e-64  8.55486017e-32 -2.99420106e-31]
 [ 6.84388814e-31 -5.13291610e-31 -8.55486017e-31]
 [ 5.98840212e-31  5.98840212e-31  2.56645805e-31]
 [-1.71097203e-31  1.71097203e-31 -8.55486017e-32]
 [-2.56645805e-31 -4.27743009e-31  4.27743009e-31]
 [ 7.24465953e-64  8.55486017e-32 -4.27743009e-31]
 [ 1.11213182e-30 -4.27743009e-31 -9.83808920e-31]
 [ 5.13291610e-31 -3.42194407e-31  2.56645805e-31]
 [-2.56645805e-31 -8.55486017e-32 -1.20130949e-48]]
stress =  [ 4.88748153e-13  4.88748153e-13  4.88748153e-13 -3.56419017e-30
 -7.58161577e-35 -4.29398237e-52]
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