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 11:28:39      -21.172333        1.8992
BFGS:    1 11:28:39      -21.258886        1.5046
BFGS:    2 11:28:39      -21.341629        0.3949
BFGS:    3 11:28:39      -21.344760        0.1163
BFGS:    4 11:28:40      -21.345112        0.0720
BFGS:    5 11:28:40      -21.345608        0.1018
BFGS:    6 11:28:40      -21.346182        0.0876
BFGS:    7 11:28:40      -21.346406        0.0352
BFGS:    8 11:28:40      -21.346439        0.0048
BFGS:    9 11:28:40      -21.346440        0.0004
BFGS:   10 11:28:40      -21.346440        0.0000
BFGS:   11 11:28:40      -21.346440        0.0000
BFGS:   12 11:28:40      -21.346440        0.0000
BFGS:   13 11:28:40      -21.346440        0.0000
Minimization converged after 13 steps.
Maximum force component: 5.572396792882018e-33 eV/Angstrom
Maximum stress component: 2.5192157027805783e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'B', 'Zr']
basis =  [[3.33333330e-01 6.66666670e-01 1.24896275e-37]
 [6.66666663e-01 3.33333337e-01 2.11798986e-36]
 [9.99999997e-01 3.33333331e-09 5.00000000e-01]]
cellpar =  Cell([[3.1321474053786096, -2.3901279428604364e-18, -2.9835422953405866e-37], [-1.5660737026893048, 2.7125192214553926, -3.0171931705831256e-37], [1.0837380870986735e-36, 1.7858874857403647e-36, 3.4281093662626816]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-3.21722479e-33  5.57239679e-33 -6.19829619e-70]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-2.38793921e-11 -2.38793921e-11 -2.51921570e-11 -1.54646379e-33
  3.82650551e-34 -6.76366486e-27]
energy per atom =  -7.11548003720042
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0