element(s):
['B', 'Hf']
AFLOW prototype label:
A2B_hP3_191_c_b
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1443', '1.1104538']
model name:
Tersoff_LAMMPS_DawLawsonBauschlicher_2011_HfB__MO_328263916986_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['B', 'Hf']
representative atom coordinates =  [[0.33333333 0.66666667 0.        ]
 [0.         0.         0.5       ]]
spacegroup =  191
cell =  [[3.1443, 0, 0], [-1.57215, 2.7230436771194, 0], [0, 0, 3.4916]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:36:35      -22.338680         1.297951
BFGS:    1 17:36:35      -22.371018         0.861894
BFGS:    2 17:36:35      -22.390288         0.150806
BFGS:    3 17:36:35      -22.390933         0.075532
BFGS:    4 17:36:35      -22.391163         0.083842
BFGS:    5 17:36:35      -22.392010         0.051639
BFGS:    6 17:36:35      -22.392080         0.014653
BFGS:    7 17:36:36      -22.392085         0.000906
BFGS:    8 17:36:36      -22.392085         0.000050
BFGS:    9 17:36:36      -22.392085         0.000002
BFGS:   10 17:36:36      -22.392085         0.000000
BFGS:   11 17:36:36      -22.392085         0.000000
Minimization converged after 11 steps.
Maximum force component: 2.0575300790602036e-31 eV/Angstrom
Maximum stress component: 1.4036679512789875e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'B', 'Hf']
basis =  [[3.33333330e-01 6.66666670e-01 0.00000000e+00]
 [6.66666663e-01 3.33333337e-01 1.01774072e-36]
 [9.99999997e-01 3.33333355e-09 5.00000000e-01]]
cellpar =  Cell([[3.1298750876499644, 7.588822256047885e-18, -5.867246957872481e-37], [-1.5649375438249822, 2.710551336576917, -7.391373527627745e-37], [-1.37915025986436e-36, 2.4014516814258935e-36, 3.4186679770889463]])
forces =  [[ 5.14382520e-32 -8.90936659e-32  2.42948567e-68]
 [-2.05753008e-31  8.90936659e-32  4.63290420e-69]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-1.40366795e-11 -1.40366795e-11 -1.08257782e-11  6.65083086e-34
  1.15195770e-33 -6.77612979e-28]
energy per atom =  -7.464028409997106
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0