element(s):
['Au', '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:
['3.9889']
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.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.9889, 0, 0], [0, 3.9889, 0], [0, 0, 3.9889]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 08:58:21      -15.387817        0.7628
BFGS:    1 08:58:21      -15.410874        0.6472
BFGS:    2 08:58:21      -15.465184        0.0609
BFGS:    3 08:58:21      -15.465617        0.0056
BFGS:    4 08:58:21      -15.465621        0.0000
BFGS:    5 08:58:21      -15.465621        0.0000
BFGS:    6 08:58:21      -15.465621        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3176314724775098e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Au', 'Pd', 'Pd', 'Pd']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.09274951e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 7.67000808e-37 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 7.67000808e-37]]
cellpar =  Cell([[3.923418992683778, 4.188299602056663e-33, -4.354322390416127e-33], [1.6755278646352808e-32, 3.923418992683778, 2.8256012359521585e-20], [2.3458091691568582e-32, 2.825601235950745e-20, 3.923418992683778]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.31763147e-14 -1.31763147e-14 -1.31763147e-14  3.07704599e-30
  2.13530448e-33 -4.08684786e-49]
energy per atom =  -3.866405241064798
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0