element(s):
['Cd', 'Te']
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:
['6.1081']
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. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[6.1081, 0, 0], [0, 6.1081, 0], [0, 0, 6.1081]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:19:06      -16.730706         3.501599
BFGS:    1 20:19:06      -17.262905         3.594320
BFGS:    2 20:19:06      -17.809804         3.693994
BFGS:    3 20:19:06      -18.370751         3.785037
BFGS:    4 20:19:06      -18.945220         3.874163
BFGS:    5 20:19:06      -19.532872         3.960784
BFGS:    6 20:19:06      -20.133262         4.043743
BFGS:    7 20:19:06      -20.745771         4.122203
BFGS:    8 20:19:06      -21.369641         4.195036
BFGS:    9 20:19:06      -22.003935         4.260946
BFGS:   10 20:19:06      -22.647505         4.318451
BFGS:   11 20:19:07      -23.298966         4.365856
BFGS:   12 20:19:07      -23.957922         4.412672
BFGS:   13 20:19:07      -24.621642         4.434350
BFGS:   14 20:19:07      -25.287414         4.447386
BFGS:   15 20:19:07      -25.953716         4.433113
BFGS:   16 20:19:07      -26.616206         4.395977
BFGS:   17 20:19:07      -27.271286         4.333266
BFGS:   18 20:19:07      -27.914601         4.238746
BFGS:   19 20:19:07      -28.541127         4.108553
BFGS:   20 20:19:07      -29.145109         3.937179
BFGS:   21 20:19:07      -29.719910         3.718356
BFGS:   22 20:19:07      -30.257888         3.444945
BFGS:   23 20:19:07      -30.758067         3.183087
BFGS:   24 20:19:07      -31.206176         2.778904
BFGS:   25 20:19:07      -31.587628         2.292453
BFGS:   26 20:19:07      -31.889210         1.711881
BFGS:   27 20:19:07      -32.095788         1.023266
BFGS:   28 20:19:07      -32.190019         0.211165
BFGS:   29 20:19:07      -32.193733         0.022366
BFGS:   30 20:19:07      -32.193774         0.000422
BFGS:   31 20:19:07      -32.193774         0.000001
BFGS:   32 20:19:07      -32.193774         0.000000
Minimization converged after 32 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.5674907639789624e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cd', 'Cd', 'Cd', 'Cd', 'Te', 'Te', 'Te', 'Te']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.06299415e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.72048530e-49 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.030189026022127, -1.7914243290467458e-32, 5.0633941108070385e-33], [-1.7912936368733727e-32, 5.030189026022126, 1.531829501584228e-17], [-6.516874809555063e-33, 1.531829501584229e-17, 5.030189026022127]])
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 =  [-1.56749076e-12 -1.56749076e-12 -1.56749076e-12  3.08057048e-31
 -2.02974092e-35 -4.47726042e-52]
energy per atom =  -4.024221728639219
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0