element(s):
['Fe', 'Pd']
AFLOW prototype label:
AB_tP2_123_a_d
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:
['2.8626', '1.275379']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Pd']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  123
cell =  [[2.8626, 0, 0], [0, 2.8626, 0], [0, 0, 3.6509]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:44:57       -8.102834         1.500502
BFGS:    1 14:44:57       -8.180450         1.187370
BFGS:    2 14:44:57       -8.276103         0.256797
BFGS:    3 14:44:57       -8.279051         0.148233
BFGS:    4 14:44:57       -8.279358         0.122437
BFGS:    5 14:44:57       -8.280631         0.109912
BFGS:    6 14:44:58       -8.283046         0.190482
BFGS:    7 14:44:58       -8.285630         0.199807
BFGS:    8 14:44:58       -8.287329         0.109010
BFGS:    9 14:44:58       -8.288032         0.004956
BFGS:   10 14:44:58       -8.288034         0.000127
BFGS:   11 14:44:58       -8.288034         0.000011
BFGS:   12 14:44:58       -8.288034         0.000000
BFGS:   13 14:44:58       -8.288034         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.5899773395280743e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Pd']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.688293549300172, -5.431555274662578e-35, -2.0759770868253132e-32], [-3.8198953693251696e-35, 2.6882935493001723, -1.7872276799905127e-17], [-5.900436678601431e-34, -2.5633000078160593e-17, 3.6984396006128617]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.74471650e-10  2.74471650e-10  3.58997734e-10 -3.05699998e-25
  1.54965582e-34 -1.35551656e-49]
energy per atom =  -4.144016802318705
===============================================
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 "CuAu" 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.