element(s):
['Zr']
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:
['4.5286']
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 =  225
cell =  [[4.5286, 0, 0], [0, 4.5286, 0], [0, 0, 4.5286]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:24:41      -24.690830        0.1757
BFGS:    1 17:24:41      -24.692049        0.1483
BFGS:    2 17:24:41      -24.695121        0.0034
BFGS:    3 17:24:41      -24.695123        0.0001
BFGS:    4 17:24:41      -24.695123        0.0000
BFGS:    5 17:24:41      -24.695123        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2960003995028152e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [6.01890584e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.32357139e-36]]
cellpar =  Cell([[4.54719036643569, -1.8071529441679796e-33, -7.735250354815554e-33], [2.2588478144755539e-32, 4.54719036643569, -1.0732274321354237e-19], [-3.6101222729927707e-32, -1.0732274321350986e-19, 4.54719036643569]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.29600040e-14 -1.29600040e-14 -1.29600040e-14 -1.80094814e-30
 -9.31438561e-36 -1.66407372e-51]
energy per atom =  -6.173780690979847
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0