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:
Morse_EIP_GuthikondaElliott_2011_AuCd__MO_703849496106_002
==== 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 17:05:29       -3.756203         0.650721
BFGS:    1 17:05:29       -3.772756         0.534865
BFGS:    2 17:05:29       -3.801202         0.131289
BFGS:    3 17:05:29       -3.802610         0.018670
BFGS:    4 17:05:30       -3.802640         0.000536
BFGS:    5 17:05:30       -3.802640         0.000002
BFGS:    6 17:05:30       -3.802640         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.5106247989755926e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Au', 'Cd']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.3036366523290086, 1.1908931055132442e-32, 4.7763498821748934e-33], [6.773601464048506e-33, 3.3036366523290086, 1.5564644531578295e-17], [-1.0295825341576853e-32, 1.5564644531578298e-17, 3.3036366523290086]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.51062480e-11  1.51062480e-11  1.51062480e-11 -2.79607618e-28
  5.29815244e-20 -4.38801247e-36]
energy per atom =  -1.9013201055535438
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0