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 14:23:43      -16.730706        3.5016
BFGS:    1 14:23:43      -17.262905        3.5943
BFGS:    2 14:23:43      -17.809804        3.6940
BFGS:    3 14:23:43      -18.370751        3.7850
BFGS:    4 14:23:43      -18.945220        3.8742
BFGS:    5 14:23:43      -19.532872        3.9608
BFGS:    6 14:23:43      -20.133262        4.0437
BFGS:    7 14:23:43      -20.745771        4.1222
BFGS:    8 14:23:43      -21.369641        4.1950
BFGS:    9 14:23:43      -22.003935        4.2609
BFGS:   10 14:23:43      -22.647505        4.3185
BFGS:   11 14:23:43      -23.298966        4.3659
BFGS:   12 14:23:43      -23.957922        4.4127
BFGS:   13 14:23:43      -24.621642        4.4343
BFGS:   14 14:23:43      -25.287414        4.4474
BFGS:   15 14:23:43      -25.953716        4.4331
BFGS:   16 14:23:43      -26.616206        4.3960
BFGS:   17 14:23:43      -27.271286        4.3333
BFGS:   18 14:23:43      -27.914601        4.2387
BFGS:   19 14:23:43      -28.541127        4.1086
BFGS:   20 14:23:44      -29.145109        3.9372
BFGS:   21 14:23:44      -29.719910        3.7184
BFGS:   22 14:23:44      -30.257888        3.4449
BFGS:   23 14:23:44      -30.758067        3.1831
BFGS:   24 14:23:44      -31.206176        2.7789
BFGS:   25 14:23:44      -31.587628        2.2925
BFGS:   26 14:23:44      -31.889210        1.7119
BFGS:   27 14:23:44      -32.095788        1.0233
BFGS:   28 14:23:44      -32.190019        0.2112
BFGS:   29 14:23:44      -32.193733        0.0224
BFGS:   30 14:23:44      -32.193774        0.0004
BFGS:   31 14:23:44      -32.193774        0.0000
BFGS:   32 14:23:44      -32.193774        0.0000
Minimization converged after 32 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.565259102805538e-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 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.19275148e-66 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [5.44097061e-49 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.030189026022128, 3.6618629392676024e-32, -3.197381091691946e-32], [4.199687875499916e-32, 5.030189026022128, 9.690519397268125e-18], [2.538523035562495e-32, 9.69051939726808e-18, 5.0301890260221285]])
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 =  [-1.56525910e-12 -1.56525910e-12 -1.56525910e-12  2.65703821e-29
  4.05948184e-35 -3.26823017e-52]
energy per atom =  -4.024221728639217
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0