element(s):
['Au', '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:
['4.0955']
model name:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Au', 'Pd']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[4.0955, 0, 0], [0, 4.0955, 0], [0, 0, 4.0955]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:27:32      -15.152434         0.968145
BFGS:    1 10:27:34      -15.189579         0.821106
BFGS:    2 10:27:35      -15.269442         0.226809
BFGS:    3 10:27:35      -15.275215         0.027790
BFGS:    4 10:27:35      -15.275299         0.000789
BFGS:    5 10:27:35      -15.275299         0.000003
BFGS:    6 10:27:35      -15.275299         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.5203096573382896e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Au', 'Au', 'Au', 'Pd']
basis =  [[3.41032704e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.91984345e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.91984345e-34]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[4.0126812341547, 1.7839134688739695e-32, 1.3007756500160624e-32], [6.861471749776072e-33, 4.0126812341547, -1.1909995777456956e-17], [7.451212186621251e-33, -1.1909995777456933e-17, 4.0126812341547]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.52030966e-11 -1.52030966e-11 -1.52030966e-11  2.69281721e-27
  2.55170158e-34 -2.05543488e-50]
energy per atom =  -3.818824833156687
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0