element(s):
['B', 'Hf']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.838']
model name:
Tersoff_LAMMPS_DawLawsonBauschlicher_2011_HfB__MO_328263916986_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['B', 'Hf']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.838, 0, 0], [0, 4.838, 0], [0, 0, 4.838]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:17:48      -47.996304        0.7458
BFGS:    1 14:17:48      -48.019584        0.7106
BFGS:    2 14:17:48      -48.111890        0.5103
BFGS:    3 14:17:48      -48.169579        0.2482
BFGS:    4 14:17:48      -48.183634        0.0603
BFGS:    5 14:17:48      -48.184400        0.0047
BFGS:    6 14:17:48      -48.184405        0.0001
BFGS:    7 14:17:48      -48.184405        0.0000
BFGS:    8 14:17:49      -48.184405        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.5672756554632344e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'B', 'B', 'B', 'Hf', 'Hf', 'Hf', 'Hf']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]
 [5.0000000e-01 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 1.4411991e-49 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 0.0000000e+00]
 [7.2059955e-50 0.0000000e+00 5.0000000e-01]]
cellpar =  Cell([[4.74762831706996, 9.437284053555696e-33, 4.313201054478072e-33], [1.0467419052898904e-32, 4.74762831706996, -7.006761299204607e-18], [-3.534023356079705e-33, -7.006761299204605e-18, 4.74762831706996]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.56727566e-13  1.56727566e-13  1.56727566e-13 -1.01604810e-30
 -4.55707095e-35 -1.46656218e-52]
energy per atom =  -6.023050589460009
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0