element(s):
['Pd', 'Ti']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.2022']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pd', 'Ti']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.2022, 0, 0], [0, 3.2022, 0], [0, 0, 3.2022]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:44:34       -8.905944         0.348284
BFGS:    1 15:44:34       -8.910206         0.223056
BFGS:    2 15:44:34       -8.913215         0.004243
BFGS:    3 15:44:34       -8.913216         0.000056
BFGS:    4 15:44:34       -8.913216         0.000000
BFGS:    5 15:44:34       -8.913216         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.2641009882095935e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.224634620589939, -1.2792395830665622e-33, -2.801845815641022e-33], [-2.5461973317946276e-33, 3.224634620589939, 5.981054474956288e-20], [2.838456583217628e-33, 5.981054474955905e-20, 3.224634620589939]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.26410099e-15 -3.26410099e-15 -3.26410099e-15 -1.05242991e-32
 -2.96346255e-34 -7.63591742e-52]
energy per atom =  -4.456608050691226
===============================================
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 "CsCl" 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.