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_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_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 14:46:38      -12.681989         0.184731
BFGS:    1 14:46:38      -12.683210         0.123832
BFGS:    2 14:46:38      -12.684218         0.001852
BFGS:    3 14:46:38      -12.684219         0.000019
BFGS:    4 14:46:38      -12.684219         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2501630439462635e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.5895568495924226, -9.114569540839049e-33, 4.381487005390248e-37], [-8.554411232402535e-33, 3.5895568495924226, 2.130025750698574e-18], [5.364541404098141e-35, 2.130025750698576e-18, 3.5895568495924226]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.25016304e-10 -1.25016304e-10 -1.25016304e-10 -7.93323888e-29
  5.97886580e-35  1.87162023e-53]
energy per atom =  -6.342109326770336
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Skipping parameter set 0 because of error while adding or validating property:
 
ERROR(@kim_property_modify): input value "Body-Centered Cubic" doesn't meet the format specification. An integer equal to or greater than 1 or integer indices range of "start:stop".
No parameter sets in this group successfully added a property instance. Skipping this group.