element(s):
['Hf']
AFLOW prototype label:
A_hP3_191_ad
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:
['4.9846', '0.62125346']
model name:
Tersoff_LAMMPS_DawLawsonBauschlicher_2011_HfB__MO_328263916986_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Hf', 'Hf']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]]
spacegroup =  191
cell =  [[4.9846, 0, 0], [-2.4923, 4.3167902277039, 0], [0, 0, 3.0967]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:19:37      -18.745132         1.674195
BFGS:    1 14:19:37      -18.829812         1.474608
BFGS:    2 14:19:37      -18.943301         0.723860
BFGS:    3 14:19:37      -18.981473         0.236681
BFGS:    4 14:19:37      -18.983680         0.259230
BFGS:    5 14:19:37      -18.985385         0.230084
BFGS:    6 14:19:37      -18.987357         0.127853
BFGS:    7 14:19:37      -18.988168         0.039184
BFGS:    8 14:19:37      -18.988319         0.008826
BFGS:    9 14:19:37      -18.988327         0.000846
BFGS:   10 14:19:37      -18.988327         0.000053
BFGS:   11 14:19:37      -18.988327         0.000001
BFGS:   12 14:19:37      -18.988327         0.000000
Minimization converged after 12 steps.
Maximum force component: 8.371097851969983e-33 eV/Angstrom
Maximum stress component: 3.40377020609089e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Hf', 'Hf', 'Hf']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]
 [0.66666667 0.33333333 0.5       ]]
cellpar =  Cell([[5.215827009512567, -3.6971152463315104e-17, 4.1646566020519155e-37], [-2.6079135047562834, 4.5170386919829015, 6.6837179895174215e-37], [-3.561503494556644e-36, 1.4763331133673227e-36, 3.100729226173181]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 4.57280415e-70 -1.89554277e-70 -3.98119151e-34]
 [ 8.37109785e-33  4.05976670e-33  7.96238302e-34]]
stress =  [-3.40377021e-10 -3.40377021e-10 -5.73873033e-12 -4.76688766e-34
 -5.71603266e-34  1.82229330e-26]
energy per atom =  -6.329442378515058
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0