element(s):
['Au', 'Cd']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.3794']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Au', 'Cd']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.3794, 0, 0], [0, 3.3794, 0], [0, 0, 3.3794]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:20:42       -7.106407         5.302092
BFGS:    1 12:20:42       -7.926227         5.588319
BFGS:    2 12:20:42       -8.771909         5.651867
BFGS:    3 12:20:42       -9.595748         5.234829
BFGS:    4 12:20:42      -10.304828         4.072706
BFGS:    5 12:20:42      -10.747428         1.544972
BFGS:    6 12:20:42      -10.779674         0.989954
BFGS:    7 12:20:42      -10.794817         0.095471
BFGS:    8 12:20:42      -10.794973         0.003464
BFGS:    9 12:20:42      -10.794974         0.000023
BFGS:   10 12:20:42      -10.794974         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.789871516344899e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Au', 'Cd']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.9236629158512786, 7.979222691304332e-34, -2.4435161017733548e-32], [-1.7146280397007255e-32, 2.9236629158512786, 4.024794509469008e-17], [-1.0387973424522e-32, 4.0247945094690075e-17, 2.923662915851279]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.78987152e-10  3.78987152e-10  3.78987152e-10  1.66460077e-25
  0.00000000e+00 -9.13617190e-59]
energy per atom =  -5.397486766501926
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0