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 15:18:08      -11.615760         1.892887
BFGS:    1 15:18:08      -11.769294         1.891955
BFGS:    2 15:18:08      -12.052627         1.884519
BFGS:    3 15:18:08      -12.334232         1.868728
BFGS:    4 15:18:08      -12.612826         1.843816
BFGS:    5 15:18:08      -12.886819         1.807481
BFGS:    6 15:18:08      -13.154443         1.758606
BFGS:    7 15:18:08      -13.413687         1.695430
BFGS:    8 15:18:08      -13.662259         1.615971
BFGS:    9 15:18:08      -13.897553         1.517996
BFGS:   10 15:18:08      -14.118125         1.432169
BFGS:   11 15:18:08      -14.322670         1.290891
BFGS:   12 15:18:08      -14.504113         1.126653
BFGS:   13 15:18:08      -14.658623         0.928071
BFGS:   14 15:18:08      -14.780807         0.694921
BFGS:   15 15:18:08      -14.865145         0.422657
BFGS:   16 15:18:08      -14.905393         0.106150
BFGS:   17 15:18:08      -14.907813         0.010894
BFGS:   18 15:18:08      -14.907838         0.000243
BFGS:   19 15:18:08      -14.907838         0.000001
BFGS:   20 15:18:08      -14.907838         0.000000
Minimization converged after 20 steps.
Maximum force component: 2.077152855753404e-31 eV/Angstrom
Maximum stress component: 9.228251968645732e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cd', 'Cd', 'Cd', 'Cd', 'Te', 'Te', 'Te', 'Te']
basis =  [[0.00000000e+00 2.56790659e-34 0.00000000e+00]
 [2.55625459e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.29523971e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.59047942e-34]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.947717415969694, -1.076603429890617e-32, 8.503798054680352e-33], [-1.2454036514110498e-32, 5.947717415969694, -1.055257365759975e-17], [4.1516237237301265e-33, -1.0552573657599737e-17, 5.947717415969694]])
forces =  [[ 1.83278193e-32  2.16784188e-50 -1.22185462e-32]
 [-1.22185462e-32 -1.83278193e-32  6.10927311e-33]
 [-2.44370924e-32 -1.22185462e-32 -2.44370924e-32]
 [ 1.52731828e-32 -2.76461705e-65  2.18369591e-65]
 [ 1.22185462e-32 -9.77483697e-32  1.58841101e-31]
 [-1.52731828e-31  6.10927311e-32  2.07715286e-31]
 [-3.45555760e-32 -8.55298235e-32 -4.88741848e-32]
 [-1.09966916e-31  7.33112773e-32 -1.83278193e-31]]
stress =  [-9.22825197e-13 -9.22825197e-13 -9.22825197e-13 -1.89413802e-28
 -2.32288948e-34 -1.74641740e-50]
energy per atom =  -1.8634797489754338
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0