element(s):
['Al', 'Fe']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['3.0271']
Parameter values for parameter set 1:
['2.8666']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Fe']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.0271, 0, 0], [0, 3.0271, 0], [0, 0, 3.0271]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:41:43       -8.057761         0.196203
BFGS:    1 15:41:43       -8.059303         0.170444
BFGS:    2 15:41:43       -8.063803         0.012034
BFGS:    3 15:41:43       -8.063824         0.000595
BFGS:    4 15:41:43       -8.063824         0.000002
BFGS:    5 15:41:43       -8.063824         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.783226199978812e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.9965508560425125, 6.088908504712722e-33, -1.3063164739593402e-33], [1.1649561663210315e-32, 2.9965508560425125, -3.901085919151433e-20], [2.4342141036721565e-33, -3.901085919151467e-20, 2.9965508560425125]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.78322620e-11 -1.78322620e-11 -1.78322620e-11 -2.74502076e-28
 -1.14392067e-34 -2.10490051e-51]
energy per atom =  -4.031912169209284
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Fe']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[2.8666, 0, 0], [0, 2.8666, 0], [0, 0, 2.8666]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:41:46       -7.873985         1.673399
BFGS:    1 15:41:46       -7.972655         1.090351
BFGS:    2 15:41:46       -8.056890         0.216296
BFGS:    3 15:41:46       -8.062125         0.103816
BFGS:    4 15:41:46       -8.063816         0.007217
BFGS:    5 15:41:46       -8.063824         0.000159
BFGS:    6 15:41:46       -8.063824         0.000000
BFGS:    7 15:41:46       -8.063824         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.041562252247066e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.9965508560763263, 1.476397566919026e-32, -6.207094312481131e-33], [1.0725385360018045e-32, 2.9965508560763263, -2.7256875845143804e-18], [1.49970788348483e-32, -2.7256875845143943e-18, 2.9965508560763263]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.04156225e-13 -9.04156225e-13 -9.04156225e-13 -3.35331471e-29
 -8.57940504e-35 -8.27916494e-51]
energy per atom =  -4.031912169209286
===============================================
Parameter sets [0, 1] 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".
Skipping parameter set 1 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.