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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 09:22:46      -33.715403        11.354608
BFGS:    1 09:22:46      -35.424595        11.409569
BFGS:    2 09:22:46      -37.132772        11.319948
BFGS:    3 09:22:46      -38.808062        10.973450
BFGS:    4 09:22:46      -40.409736        10.324899
BFGS:    5 09:22:46      -41.888470         9.327369
BFGS:    6 09:22:46      -43.179685         7.791513
BFGS:    7 09:22:46      -44.192426         5.587911
BFGS:    8 09:22:46      -44.819848         2.632645
BFGS:    9 09:22:46      -44.940977         0.979086
BFGS:   10 09:22:46      -44.956740         0.096089
BFGS:   11 09:22:46      -44.956900         0.003071
BFGS:   12 09:22:46      -44.956900         0.000010
BFGS:   13 09:22:46      -44.956900         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.172823083727691e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Au', 'Au', 'Au', 'Cd']
basis =  [[3.65521161e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 8.23080481e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 8.23080481e-34]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.7438476314478564, 9.491339825060415e-33, -1.9980310868107983e-32], [1.7695685724864297e-32, 3.7438476314478564, -3.36511907973338e-17], [-1.3815810783805292e-32, -3.365119079733381e-17, 3.7438476314478564]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 7.17282308e-11  7.17282308e-11  7.17282308e-11  2.54342316e-26
 -2.34505407e-33  1.59679497e-49]
energy per atom =  -11.239225122457302
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0