element(s):
['Cu', '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:
['3.7121']
model name:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Pd']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.7121, 0, 0], [0, 3.7121, 0], [0, 0, 3.7121]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:45:03      -14.497081        0.4606
BFGS:    1 15:45:03      -14.505693        0.4117
BFGS:    2 15:45:03      -14.538205        0.0139
BFGS:    3 15:45:03      -14.538239        0.0009
BFGS:    4 15:45:03      -14.538239        0.0000
BFGS:    5 15:45:03      -14.538239        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.834143422995235e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Cu', 'Pd']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.31622031e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.63244063e-35]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.658069103263361, -1.347637719896235e-32, -2.3333902151805653e-32], [1.1229658140864623e-32, 3.658069103263361, 6.273737253531872e-19], [-9.763898950156874e-33, 6.273737253531759e-19, 3.658069103263361]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.83414342e-11  1.83414342e-11  1.83414342e-11  1.27242851e-26
  5.49361365e-59 -1.14077633e-59]
energy per atom =  -3.634559742443682
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0