element(s):
['Pd', 'Ti']
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:
['3.9324']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pd', 'Ti']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.9324, 0, 0], [0, 3.9324, 0], [0, 0, 3.9324]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:55:45      -16.802245         0.482333
BFGS:    1 15:55:45      -16.811441         0.407458
BFGS:    2 15:55:45      -16.834838         0.012150
BFGS:    3 15:55:46      -16.834860         0.000354
BFGS:    4 15:55:46      -16.834860         0.000000
BFGS:    5 15:55:46      -16.834860         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.082663228053923e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Pd', 'Ti']
basis =  [[1.72037384e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.78314208e-37 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.78314208e-37]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.977203967823631, 3.281688612062672e-33, -6.148085478159682e-34], [5.748855267514132e-33, 3.977203967823631, 6.91663463110607e-21], [-9.641209721728591e-34, 6.916634631103983e-21, 3.977203967823631]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.08266323e-13 -6.08266323e-13 -6.08266323e-13  2.68314206e-29
  6.49356939e-35 -7.61968379e-53]
energy per atom =  -4.208714977404851
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0