element(s):
['B', 'C']
AFLOW prototype label:
AB5_hP6_156_a_a2b2c
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3', 'z4', 'z5', 'z6']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5522', '2.5035656', '0.006569931', '0.25991942', '0.66435996', '0.89980216', '0.33839924', '0.5819493']
model name:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['B', 'C', 'C', 'C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.00656993]
 [0.         0.         0.25991942]
 [0.33333333 0.66666667 0.66435996]
 [0.33333333 0.66666667 0.89980216]
 [0.66666667 0.33333333 0.33839924]
 [0.66666667 0.33333333 0.5819493 ]]
spacegroup =  156
cell =  [[2.5522, 0, 0], [-1.2761, 2.2102700355386, 0], [0, 0, 6.3896]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:48:07      -36.551830         1.654255
BFGS:    1 17:48:07      -36.596218         0.573006
BFGS:    2 17:48:07      -36.618736         0.512976
BFGS:    3 17:48:07      -36.642471         0.518022
BFGS:    4 17:48:07      -36.652339         0.466919
BFGS:    5 17:48:07      -36.659709         0.193793
BFGS:    6 17:48:07      -36.662484         0.200773
BFGS:    7 17:48:07      -36.663576         0.102717
BFGS:    8 17:48:08      -36.663901         0.073549
BFGS:    9 17:48:08      -36.664094         0.066810
BFGS:   10 17:48:08      -36.664337         0.078997
BFGS:   11 17:48:08      -36.664556         0.073938
BFGS:   12 17:48:08      -36.664675         0.034091
BFGS:   13 17:48:08      -36.664709         0.014501
BFGS:   14 17:48:08      -36.664717         0.006783
BFGS:   15 17:48:08      -36.664718         0.003013
BFGS:   16 17:48:08      -36.664719         0.000640
BFGS:   17 17:48:08      -36.664719         0.000052
BFGS:   18 17:48:08      -36.664719         0.000004
BFGS:   19 17:48:08      -36.664719         0.000001
BFGS:   20 17:48:08      -36.664719         0.000000
BFGS:   21 17:48:08      -36.664719         0.000000
Minimization converged after 21 steps.
Maximum force component: 8.631759640387317e-09 eV/Angstrom
Maximum stress component: 1.0314118878985125e-09 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'C', 'C', 'C', 'C', 'C']
basis =  [[3.70373667e-55 7.25049551e-55 4.27601561e-03]
 [6.89634067e-36 0.00000000e+00 2.58053717e-01]
 [3.33333333e-01 6.66666667e-01 6.63516826e-01]
 [3.33333333e-01 6.66666667e-01 9.07662694e-01]
 [6.66666667e-01 3.33333333e-01 3.35182956e-01]
 [6.66666667e-01 3.33333333e-01 5.82307803e-01]]
cellpar =  Cell([[2.5980198788941493, -4.4236456888728915e-18, 4.719435575063679e-39], [-1.2990099394470747, 2.249951214659304, -3.0233141830695424e-37], [1.173764132698371e-38, 5.320708344608996e-37, 6.415067049806657]])
forces =  [[-1.20218294e-47 -5.44953165e-46 -6.57038662e-09]
 [-1.02483689e-47 -4.64561664e-46 -5.60112307e-09]
 [-6.51135704e-31  5.91632851e-31  3.17020127e-09]
 [ 1.57935214e-47  7.15925106e-46  8.63175964e-09]
 [ 2.26481713e-48  1.02664846e-46  1.23780863e-09]
 [-1.70789693e-31 -7.17228395e-47 -8.68253469e-10]]
stress =  [-4.04009519e-10 -4.04009519e-10 -1.03141189e-09 -2.27727192e-33
  2.84920203e-46  4.38871437e-27]
energy per atom =  -6.11078642864175
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0