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 18:15:30      -11.981806        0.6571
BFGS:    1 18:15:30      -11.997272        0.4431
BFGS:    2 18:15:30      -12.010973        0.0344
BFGS:    3 18:15:30      -12.011063        0.0020
BFGS:    4 18:15:30      -12.011063        0.0000
BFGS:    5 18:15:30      -12.011063        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2404713241406224e-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, 8.587645675520887e-33, -7.288061606550658e-33], [9.665003379582775e-33, 3.6297282534025963, 1.1029535222853674e-20], [1.8229796063061602e-32, 1.1029535222833307e-20, 3.6297282534025963]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.24047132e-10 -1.24047132e-10 -1.24047132e-10 -1.82125842e-27
 -3.11853757e-34 -1.45897544e-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