element(s):
['Au', 'Cd']
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:
['4.199']
model name:
Morse_EIP_GuthikondaElliott_2011_AuCd__MO_703849496106_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Au', 'Cd']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[4.199, 0, 0], [0, 4.199, 0], [0, 0, 4.199]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:35:22      -10.069254         0.798535
BFGS:    1 11:35:22      -10.095167         0.715232
BFGS:    2 11:35:22      -10.172488         0.302259
BFGS:    3 11:35:22      -10.186542         0.054428
BFGS:    4 11:35:22      -10.186970         0.003217
BFGS:    5 11:35:22      -10.186971         0.000031
BFGS:    6 11:35:22      -10.186971         0.000000
BFGS:    7 11:35:22      -10.186971         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.092162087648602e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Au', 'Au', 'Au', 'Cd']
basis =  [[1.25113176e-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([[4.101652935190829, 1.356807994035161e-32, 9.6394310475194e-33], [3.0305894701668717e-33, 4.101652935190829, 7.307682190994433e-19], [-9.617601769275772e-33, 7.307682190994571e-19, 4.101652935190829]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.09216209e-15  6.09216209e-15  6.09216209e-15 -1.28890958e-20
  4.29636525e-21 -5.18070572e-40]
energy per atom =  -2.5467427691276234
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0