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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 09:22:46      -56.920537        16.517492
BFGS:    1 09:22:46      -59.357977        15.924396
BFGS:    2 09:22:46      -61.674308        14.875286
BFGS:    3 09:22:46      -63.793556        13.290062
BFGS:    4 09:22:46      -65.619934        10.921834
BFGS:    5 09:22:46      -67.023452         7.668948
BFGS:    6 09:22:46      -67.854778         3.230434
BFGS:    7 09:22:46      -67.984148         1.008796
BFGS:    8 09:22:46      -67.996071         0.081943
BFGS:    9 09:22:46      -67.996152         0.001860
BFGS:   10 09:22:46      -67.996152         0.000004
BFGS:   11 09:22:46      -67.996152         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0559003830144753e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Au', 'Au', 'Au', 'Pd']
basis =  [[5.91536263e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.7592627526530076, 2.715782572732695e-33, -1.2937384173956812e-32], [3.046645370870653e-33, 3.7592627526530076, 1.8021141935339273e-17], [-1.9551794801791428e-32, 1.8021141935339276e-17, 3.7592627526530076]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.05590038e-11  1.05590038e-11  1.05590038e-11 -1.58274949e-29
  2.32586139e-33  4.62936111e-51]
energy per atom =  -16.99903811367516
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0