element(s):
['Hf']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5397']
model name:
Tersoff_LAMMPS_DawLawsonBauschlicher_2011_HfB__MO_328263916986_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Hf']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.5397, 0, 0], [0, 3.5397, 0], [0, 0, 3.5397]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:00:06      -12.467676         1.426462
BFGS:    1 17:00:06      -12.538410         0.897186
BFGS:    2 17:00:06      -12.589998         0.122652
BFGS:    3 17:00:06      -12.591105         0.012871
BFGS:    4 17:00:06      -12.591118         0.000216
BFGS:    5 17:00:06      -12.591118         0.000000
BFGS:    6 17:00:07      -12.591118         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.042343309257731e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Hf', 'Hf']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.6477382785004027, 2.811661505244519e-33, 1.743930267355771e-33], [6.493757257846538e-33, 3.6477382785004027, -2.524443302278216e-18], [-1.290118129572602e-33, -2.5244433022782165e-18, 3.6477382785004027]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.04234331e-13 -5.04234331e-13 -5.04234331e-13  1.62272436e-30
 -1.54390960e-34  4.00535081e-52]
energy per atom =  -6.295558902838842
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0