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:
MEAM_LAMMPS_KimLeeBaskes_2006_Zr__MO_392493010449_001
==== 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 16:19:35      -12.689629         0.060892
BFGS:    1 16:19:35      -12.689763         0.041850
BFGS:    2 16:19:35      -12.689884         0.000264
BFGS:    3 16:19:35      -12.689884         0.000001
BFGS:    4 16:19:35      -12.689884         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3965849268548549e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.580094055170912, 1.72026542617545e-33, 5.485510306893108e-34], [-2.009640768037741e-33, 3.580094055170912, 6.799214385726118e-21], [-2.2704120325249674e-34, 6.79921438572655e-21, 3.580094055170912]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.39658493e-12 -1.39658493e-12 -1.39658493e-12 -4.02500004e-30
 -1.30227801e-34 -1.89082437e-50]
energy per atom =  -6.3449420063345885
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0