element(s):
['Zr']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5751']
model name:
Tersoff_LAMMPS_DawLawsonBauschlicher_2011pot2_ZrB__MO_728716510644_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Zr']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.5751, 0, 0], [0, 3.5751, 0], [0, 0, 3.5751]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:19:02      -11.981806         0.657130
BFGS:    1 16:19:02      -11.997272         0.443098
BFGS:    2 16:19:02      -12.010973         0.034405
BFGS:    3 16:19:02      -12.011063         0.002015
BFGS:    4 16:19:02      -12.011063         0.000010
BFGS:    5 16:19:02      -12.011063         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2404713241406226e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.6297282534025963, 3.8146946221718e-34, 5.6621013792271005e-33], [5.88705386195722e-34, 3.6297282534025963, 5.0838220508370706e-21], [-3.804958293381972e-33, 5.083822050840808e-21, 3.6297282534025963]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.24047132e-10 -1.24047132e-10 -1.24047132e-10  1.79784475e-26
  1.55926879e-34 -2.70848085e-50]
energy per atom =  -6.005531435392062
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0