element(s):
['Fe', 'Pd']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8382']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Pd']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.8382, 0, 0], [0, 3.8382, 0], [0, 0, 3.8382]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:54:45      -16.499337         1.073405
BFGS:    1 14:54:45      -16.546319         0.969585
BFGS:    2 14:54:45      -16.666742         0.630009
BFGS:    3 14:54:45      -16.732593         0.238142
BFGS:    4 14:54:45      -16.742332         0.027626
BFGS:    5 14:54:45      -16.742459         0.000893
BFGS:    6 14:54:45      -16.742459         0.000003
BFGS:    7 14:54:45      -16.742459         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.7882684296469522e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Pd']
basis =  [[0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]
 [0.  0.  0. ]]
cellpar =  Cell([[3.7013100081262733, 6.497972645506678e-33, -5.431653671276605e-34], [-3.5285170425264966e-33, 3.7013100081262733, 8.461291012088846e-19], [2.8890651121999844e-33, 8.461291012088806e-19, 3.7013100081262733]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.78826843e-11 -2.78826843e-11 -2.78826843e-11  5.49028112e-27
 -4.68606499e-36 -3.49691348e-54]
energy per atom =  -4.185614766600245
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0