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 11:35:25      -15.152434         0.968145
BFGS:    1 11:35:25      -15.189579         0.821106
BFGS:    2 11:35:25      -15.269442         0.226809
BFGS:    3 11:35:25      -15.275215         0.027790
BFGS:    4 11:35:25      -15.275299         0.000789
BFGS:    5 11:35:25      -15.275299         0.000003
BFGS:    6 11:35:25      -15.275299         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.5199108046052665e-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 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[4.012681234154706, -1.5186086980688643e-32, 3.2636997992261803e-32], [-7.981354209579685e-33, 4.012681234154706, -1.2732982623273852e-17], [4.28448687083506e-33, -1.2732982623273832e-17, 4.012681234154706]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.51991080e-11 -1.51991080e-11 -1.51991080e-11 -3.51880890e-27
 -5.10340317e-34 -9.56376114e-50]
energy per atom =  -3.818824833156679
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0