element(s):
['Fe', 'Pd']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.9005']
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.  0.5 0.5]]
spacegroup =  221
cell =  [[3.9005, 0, 0], [0, 3.9005, 0], [0, 0, 3.9005]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:20:19      -16.111686         0.892510
BFGS:    1 13:20:19      -16.143169         0.752547
BFGS:    2 13:20:19      -16.211491         0.142748
BFGS:    3 13:20:19      -16.213784         0.012938
BFGS:    4 13:20:19      -16.213802         0.000169
BFGS:    5 13:20:20      -16.213802         0.000000
BFGS:    6 13:20:20      -16.213802         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.9768677360101539e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Pd', 'Pd', 'Pd']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.25751739e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.828833614951829, -1.0616845731363346e-32, -8.449734073758765e-33], [4.164818061561147e-33, 3.828833614951829, -3.715822775961356e-19], [8.933960272989584e-34, -3.715822775961337e-19, 3.828833614951829]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.97686774e-13 -1.97686774e-13 -1.97686774e-13 -1.01176239e-30
 -1.05098734e-34 -8.37356481e-51]
energy per atom =  -4.05345053297896
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0