element(s):
['Zr']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.232', '1.6019183']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Zr']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.232, 0, 0], [-1.616, 2.7989941050313, 0], [0, 0, 5.1774]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:46:38      -12.717884         0.177886
BFGS:    1 14:46:38      -12.718692         0.139176
BFGS:    2 14:46:38      -12.720030         0.094648
BFGS:    3 14:46:38      -12.720151         0.083589
BFGS:    4 14:46:38      -12.720487         0.002830
BFGS:    5 14:46:38      -12.720488         0.000153
BFGS:    6 14:46:38      -12.720488         0.000000
BFGS:    7 14:46:38      -12.720488         0.000000
Minimization converged after 7 steps.
Maximum force component: 1.976972959269972e-32 eV/Angstrom
Maximum stress component: 8.04023607844651e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.2078220268205557, -7.175392196136093e-18, -9.862637530699255e-39], [-1.6039110134102779, 2.778055366045889, 1.5211596486743755e-36], [8.434057079439168e-37, -2.852431032553008e-36, 5.202519687963536]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.97697296e-32  1.14140587e-32  6.29043556e-69]]
stress =  [-1.60726794e-11 -1.60726794e-11  8.04023608e-11  1.42139433e-33
  4.92385441e-34  2.73812889e-27]
energy per atom =  -6.360243866755043
===============================================
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 "Hexagonal Close Packed" 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.