element(s):
['B', 'Zr']
AFLOW prototype label:
A2B_hP3_191_c_b
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:
['3.1767', '1.1184248']
model name:
Tersoff_LAMMPS_DawLawsonBauschlicher_2011pot2_ZrB__MO_728716510644_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['B', 'Zr']
representative atom coordinates =  [[0.33333333 0.66666667 0.        ]
 [0.         0.         0.5       ]]
spacegroup =  191
cell =  [[3.1767, 0, 0], [-1.58835, 2.751102900202, 0], [0, 0, 3.5529]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:36:32      -21.172333         1.899189
BFGS:    1 17:36:32      -21.258886         1.504623
BFGS:    2 17:36:32      -21.341629         0.394921
BFGS:    3 17:36:32      -21.344760         0.116273
BFGS:    4 17:36:32      -21.345112         0.072046
BFGS:    5 17:36:32      -21.345608         0.101752
BFGS:    6 17:36:33      -21.346182         0.087599
BFGS:    7 17:36:33      -21.346406         0.035242
BFGS:    8 17:36:33      -21.346439         0.004823
BFGS:    9 17:36:33      -21.346440         0.000441
BFGS:   10 17:36:33      -21.346440         0.000033
BFGS:   11 17:36:33      -21.346440         0.000001
BFGS:   12 17:36:33      -21.346440         0.000000
BFGS:   13 17:36:33      -21.346440         0.000000
Minimization converged after 13 steps.
Maximum force component: 1.544267898432884e-31 eV/Angstrom
Maximum stress component: 2.5194274533599955e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'B', 'Zr']
basis =  [[3.33333330e-01 6.66666670e-01 3.13465160e-38]
 [6.66666663e-01 3.33333337e-01 0.00000000e+00]
 [9.99999997e-01 3.33333331e-09 5.00000000e-01]]
cellpar =  Cell([[3.132147405378611, 1.1740725867921184e-18, -3.618658856603117e-38], [-1.5660737026893055, 2.712519221455392, -3.6337656297367266e-37], [1.8133721407322698e-37, 1.0208453707756625e-38, 3.42810936626268]])
forces =  [[ 1.54426790e-31 -8.91583487e-32  1.07544741e-68]
 [-1.54426790e-31  8.91583487e-32 -1.07544741e-68]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-2.38799877e-11 -2.38799877e-11 -2.51942745e-11 -1.76738719e-33
  3.96352937e-48 -1.85557748e-27]
energy per atom =  -7.115480037200418
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0