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 20:19:06      -16.068409         3.268155
BFGS:    1 20:19:06      -16.531244         3.340525
BFGS:    2 20:19:06      -17.038783         3.424855
BFGS:    3 20:19:06      -17.558060         3.498356
BFGS:    4 20:19:06      -18.088126         3.568568
BFGS:    5 20:19:06      -18.628423         3.634627
BFGS:    6 20:19:06      -19.178257         3.695540
BFGS:    7 20:19:07      -19.736821         3.751111
BFGS:    8 20:19:07      -20.303124         3.798216
BFGS:    9 20:19:07      -20.877144         3.878635
BFGS:   10 20:19:07      -21.461284         3.907976
BFGS:   11 20:19:07      -22.048910         3.924780
BFGS:   12 20:19:07      -22.637982         3.926871
BFGS:   13 20:19:07      -23.226113         3.911775
BFGS:   14 20:19:07      -23.810515         3.876675
BFGS:   15 20:19:07      -24.389190         3.827950
BFGS:   16 20:19:07      -24.957392         3.743279
BFGS:   17 20:19:07      -25.510635         3.627785
BFGS:   18 20:19:07      -26.043936         3.476523
BFGS:   19 20:19:07      -26.551544         3.284278
BFGS:   20 20:19:07      -27.026868         3.044985
BFGS:   21 20:19:07      -27.462345         2.751753
BFGS:   22 20:19:07      -27.849369         2.412090
BFGS:   23 20:19:07      -28.180260         1.987213
BFGS:   24 20:19:07      -28.441498         1.481589
BFGS:   25 20:19:07      -28.620154         0.884504
BFGS:   26 20:19:07      -28.701497         0.181324
BFGS:   27 20:19:07      -28.704665         0.018858
BFGS:   28 20:19:07      -28.704699         0.000348
BFGS:   29 20:19:07      -28.704699         0.000001
BFGS:   30 20:19:07      -28.704699         0.000000
Minimization converged after 30 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3752155713221128e-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 3.86352616e-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 1.42979190e-49 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 2.57568411e-33 5.00000000e-01]]
cellpar =  Cell([[4.785505955230438, -1.1680506262859912e-32, 6.999842819845831e-32], [-2.252247355749133e-32, 4.785505955230438, -4.013443331080673e-17], [3.528231223696304e-32, -4.013443331080669e-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 =  [-1.37521557e-12 -1.37521557e-12 -1.37521557e-12  3.83099726e-28
  1.12130433e-35 -1.45011743e-51]
energy per atom =  -3.5880873626948127
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0