element(s):
['Cd', 'Se']
AFLOW prototype label:
AB_cF8_225_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:
['5.7212']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cd', 'Se']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[5.7212, 0, 0], [0, 5.7212, 0], [0, 0, 5.7212]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:23:43      -16.068409        3.2682
BFGS:    1 14:23:43      -16.531244        3.3405
BFGS:    2 14:23:43      -17.038783        3.4249
BFGS:    3 14:23:43      -17.558060        3.4984
BFGS:    4 14:23:43      -18.088126        3.5686
BFGS:    5 14:23:43      -18.628423        3.6346
BFGS:    6 14:23:43      -19.178257        3.6955
BFGS:    7 14:23:43      -19.736821        3.7511
BFGS:    8 14:23:43      -20.303124        3.7982
BFGS:    9 14:23:43      -20.877144        3.8786
BFGS:   10 14:23:43      -21.461284        3.9080
BFGS:   11 14:23:43      -22.048910        3.9248
BFGS:   12 14:23:43      -22.637982        3.9269
BFGS:   13 14:23:43      -23.226113        3.9118
BFGS:   14 14:23:43      -23.810515        3.8767
BFGS:   15 14:23:43      -24.389190        3.8280
BFGS:   16 14:23:44      -24.957392        3.7433
BFGS:   17 14:23:44      -25.510635        3.6278
BFGS:   18 14:23:44      -26.043936        3.4765
BFGS:   19 14:23:44      -26.551544        3.2843
BFGS:   20 14:23:44      -27.026868        3.0450
BFGS:   21 14:23:44      -27.462345        2.7518
BFGS:   22 14:23:44      -27.849369        2.4121
BFGS:   23 14:23:44      -28.180260        1.9872
BFGS:   24 14:23:44      -28.441498        1.4816
BFGS:   25 14:23:44      -28.620154        0.8845
BFGS:   26 14:23:44      -28.701497        0.1813
BFGS:   27 14:23:44      -28.704665        0.0189
BFGS:   28 14:23:44      -28.704699        0.0003
BFGS:   29 14:23:44      -28.704699        0.0000
BFGS:   30 14:23:44      -28.704699        0.0000
Minimization converged after 30 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3758130944236279e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cd', 'Cd', 'Cd', 'Cd', 'Se', 'Se', 'Se', 'Se']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.93176308e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 1.60980257e-33 5.00000000e-01]]
cellpar =  Cell([[4.7855059552304375, -9.095799204123644e-33, -2.8229547834648265e-33], [-1.4293622573484123e-32, 4.7855059552304375, -2.2104263665395578e-17], [2.209118241382513e-33, -2.2104263665395587e-17, 4.7855059552304375]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.37581309e-12 -1.37581309e-12 -1.37581309e-12 -1.94840699e-29
  6.27930426e-34  2.82283699e-51]
energy per atom =  -3.588087362694813
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0