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 01:59:43      -33.715403       11.3546
BFGS:    1 01:59:43      -35.424595       11.4096
BFGS:    2 01:59:43      -37.132772       11.3199
BFGS:    3 01:59:43      -38.808062       10.9734
BFGS:    4 01:59:43      -40.409736       10.3249
BFGS:    5 01:59:43      -41.888470        9.3274
BFGS:    6 01:59:43      -43.179685        7.7915
BFGS:    7 01:59:43      -44.192426        5.5879
BFGS:    8 01:59:43      -44.819848        2.6326
BFGS:    9 01:59:43      -44.940977        0.9791
BFGS:   10 01:59:43      -44.956740        0.0961
BFGS:   11 01:59:44      -44.956900        0.0031
BFGS:   12 01:59:44      -44.956900        0.0000
BFGS:   13 01:59:44      -44.956900        0.0000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.172412257306097e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Au', 'Au', 'Au', 'Cd']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 8.23080481e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.7438476314478555, 4.2555753493807094e-32, -5.0934337348041766e-34], [3.5648472768679563e-32, 3.7438476314478555, 1.7210334649322702e-17], [-1.3652489325918848e-32, 1.721033464932271e-17, 3.7438476314478555]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 7.17241226e-11  7.17241226e-11  7.17241226e-11 -1.72658929e-27
  1.17252704e-33 -4.36938513e-50]
energy per atom =  -11.239225122457308
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0