element(s):
['Cd', 'Te']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.6015']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cd', 'Te']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[6.6015, 0, 0], [0, 6.6015, 0], [0, 0, 6.6015]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:11:03      -11.615760         1.892887
BFGS:    1 20:11:03      -11.769294         1.891955
BFGS:    2 20:11:03      -12.052627         1.884519
BFGS:    3 20:11:03      -12.334232         1.868728
BFGS:    4 20:11:03      -12.612826         1.843816
BFGS:    5 20:11:03      -12.886819         1.807481
BFGS:    6 20:11:03      -13.154443         1.758606
BFGS:    7 20:11:03      -13.413687         1.695430
BFGS:    8 20:11:03      -13.662259         1.615971
BFGS:    9 20:11:03      -13.897553         1.517996
BFGS:   10 20:11:03      -14.118125         1.432169
BFGS:   11 20:11:03      -14.322670         1.290891
BFGS:   12 20:11:03      -14.504113         1.126653
BFGS:   13 20:11:03      -14.658623         0.928071
BFGS:   14 20:11:04      -14.780807         0.694921
BFGS:   15 20:11:04      -14.865145         0.422657
BFGS:   16 20:11:04      -14.905393         0.106150
BFGS:   17 20:11:04      -14.907813         0.010894
BFGS:   18 20:11:04      -14.907838         0.000243
BFGS:   19 20:11:04      -14.907838         0.000001
BFGS:   20 20:11:04      -14.907838         0.000000
Minimization converged after 20 steps.
Maximum force component: 1.6128480997614662e-30 eV/Angstrom
Maximum stress component: 9.232722183546576e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cd', 'Cd', 'Cd', 'Cd', 'Te', 'Te', 'Te', 'Te']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]
 [0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]]
cellpar =  Cell([[5.947717415969693, 6.758976704546803e-35, -1.0182621824643376e-33], [7.520057882177571e-33, 5.947717415969693, 4.8806069106486296e-17], [-6.400731740449176e-33, 4.880606910648631e-17, 5.947717415969693]])
forces =  [[-4.88741848e-32 -4.88741848e-32 -4.88741848e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 5.25967399e-65 -4.01054165e-49 -4.88741848e-32]
 [-4.88741848e-32 -4.88741848e-32 -4.01054165e-49]
 [ 6.84238588e-31  1.56397391e-30  8.55298235e-32]
 [ 3.75720296e-31 -1.29516590e-30  1.22185462e-31]
 [ 5.14706259e-31  1.61284810e-30  2.68808017e-31]
 [ 9.77483697e-32 -1.51357241e-30  3.42119294e-31]]
stress =  [-9.23272218e-13 -9.23272218e-13 -9.23272218e-13  1.96235300e-28
  4.64577897e-34 -3.84747514e-50]
energy per atom =  -1.8634797489754316
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0