element(s):
['Hf']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4761']
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 =  225
cell =  [[4.4761, 0, 0], [0, 4.4761, 0], [0, 0, 4.4761]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:16:11      -25.756033         0.985404
BFGS:    1 15:16:11      -25.793797         0.804184
BFGS:    2 15:16:11      -25.869163         0.214247
BFGS:    3 15:16:11      -25.875484         0.019449
BFGS:    4 15:16:11      -25.875538         0.000538
BFGS:    5 15:16:11      -25.875538         0.000001
BFGS:    6 15:16:11      -25.875538         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.369081378632116e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Hf', 'Hf', 'Hf', 'Hf']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.33929244e-51 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.570210477211849, -6.391485881570929e-33, 2.346313556420978e-36], [9.090775586545894e-35, 4.570210477211849, -2.2570200405190495e-18], [1.4386752313988084e-36, -2.2570200405190495e-18, 4.570210477211849]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.36908138e-12 -4.36908138e-12 -4.36908138e-12 -4.58393674e-31
  9.83550823e-35 -4.32986162e-53]
energy per atom =  -6.468884481776519
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0