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:
EAM_Dynamo_ZhouJohnsonWadley_2004_Zr__MO_103270551167_005
==== 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 18:15:00      -12.681972        0.1844
BFGS:    1 18:15:00      -12.683007        0.1258
BFGS:    2 18:15:00      -12.684039        0.0031
BFGS:    3 18:15:00      -12.684040        0.0000
BFGS:    4 18:15:00      -12.684040        0.0000
BFGS:    5 18:15:00      -12.684040        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.523981825847394e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.5896704248266573, -2.047923298674354e-32, 1.4840977438623346e-33], [-1.4821004012436255e-32, 3.5896704248266573, -2.351770172954758e-18], [-8.370707953879703e-34, -2.3517701729547583e-18, 3.5896704248266573]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [3.52398183e-13 3.52398183e-13 3.52398183e-13 3.20957986e-30
 1.99282916e-35 9.14510875e-53]
energy per atom =  -6.342019767930348
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0