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 17:58:27      -12.467676        1.4265
BFGS:    1 17:58:27      -12.538410        0.8972
BFGS:    2 17:58:27      -12.589998        0.1227
BFGS:    3 17:58:27      -12.591105        0.0129
BFGS:    4 17:58:27      -12.591118        0.0002
BFGS:    5 17:58:27      -12.591118        0.0000
BFGS:    6 17:58:27      -12.591118        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.038691118301265e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Hf', 'Hf']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.6477382785004036, 1.506077281840958e-32, 1.3385795271709883e-32], [1.480062438362025e-32, 3.6477382785004036, -2.524437727022031e-18], [6.26498539827114e-33, -2.524437727022026e-18, 3.6477382785004036]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.03869112e-13 -5.03869112e-13 -5.03869112e-13 -9.46062963e-29
 -3.85977400e-35 -4.75927703e-51]
energy per atom =  -6.295558902838839
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0