element(s):
['Hf']
AFLOW prototype label:
A_hP2_194_c
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:
['3.1999', '1.5810182']
model name:
Tersoff_LAMMPS_DawLawsonBauschlicher_2011_HfB__MO_328263916986_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Hf']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.1999, 0, 0], [-1.59995, 2.7711946895698, 0], [0, 0, 5.0591]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:02:11      -12.865703         1.398597
BFGS:    1 14:02:11      -12.903385         0.960275
BFGS:    2 14:02:11      -12.934051         0.231787
BFGS:    3 14:02:11      -12.935272         0.124241
BFGS:    4 14:02:11      -12.936315         0.122530
BFGS:    5 14:02:11      -12.937334         0.084057
BFGS:    6 14:02:11      -12.937712         0.029804
BFGS:    7 14:02:11      -12.937766         0.008233
BFGS:    8 14:02:11      -12.937769         0.000533
BFGS:    9 14:02:11      -12.937769         0.000029
BFGS:   10 14:02:11      -12.937769         0.000001
BFGS:   11 14:02:11      -12.937769         0.000000
Minimization converged after 11 steps.
Maximum force component: 1.7248141223449506e-32 eV/Angstrom
Maximum stress component: 4.1144551542717177e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Hf', 'Hf']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.2316268198775306, 1.870932344679717e-18, -4.7881006039291124e-37], [-1.6158134099387653, 2.7986709215650603, 4.771209719756229e-37], [6.253007122547907e-37, -3.500219351415093e-37, 5.277224496540481]])
forces =  [[ 3.31940633e-33 -1.72481412e-32 -1.95685341e-69]
 [ 9.95821898e-33 -5.74938041e-33 -1.96379328e-69]]
stress =  [-1.50657065e-10 -1.50657065e-10 -4.11445515e-10  5.21606593e-35
  9.03449120e-35  2.67579999e-27]
energy per atom =  -6.46888448177653
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0