element(s):
['Hg', '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:
['6.1389']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Hg', 'Te']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[6.1389, 0, 0], [0, 6.1389, 0], [0, 0, 6.1389]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:49:35      -15.677019         3.527182
BFGS:    1 16:49:35      -16.214830         3.644059
BFGS:    2 16:49:35      -16.770361         3.763420
BFGS:    3 16:49:36      -17.343971         3.885080
BFGS:    4 16:49:36      -17.935988         4.008811
BFGS:    5 16:49:36      -18.546710         4.134880
BFGS:    6 16:49:37      -19.176451         4.261871
BFGS:    7 16:49:37      -19.825323         4.389900
BFGS:    8 16:49:38      -20.493448         4.518479
BFGS:    9 16:49:38      -21.181152         4.655685
BFGS:   10 16:49:38      -21.889137         4.783936
BFGS:   11 16:49:39      -22.616259         4.910698
BFGS:   12 16:49:39      -23.362228         5.046145
BFGS:   13 16:49:39      -24.128304         5.167513
BFGS:   14 16:49:40      -24.912245         5.284134
BFGS:   15 16:49:40      -25.713234         5.394543
BFGS:   16 16:49:40      -26.530213         5.497043
BFGS:   17 16:49:41      -27.361854         5.589674
BFGS:   18 16:49:41      -28.206509         5.670172
BFGS:   19 16:49:41      -29.062187         5.736139
BFGS:   20 16:49:42      -29.926452         5.784171
BFGS:   21 16:49:42      -30.796525         5.820376
BFGS:   22 16:49:42      -31.670085         5.822546
BFGS:   23 16:49:43      -32.542052         5.867093
BFGS:   24 16:49:43      -33.418187         5.808459
BFGS:   25 16:49:43      -34.282557         5.709145
BFGS:   26 16:49:44      -35.128555         5.562284
BFGS:   27 16:49:44      -35.948473         5.359999
BFGS:   28 16:49:44      -36.733334         5.093255
BFGS:   29 16:49:45      -37.472723         4.752992
BFGS:   30 16:49:45      -38.154722         4.324791
BFGS:   31 16:49:45      -38.765147         3.796253
BFGS:   32 16:49:46      -39.288054         3.161446
BFGS:   33 16:49:46      -39.705724         2.383550
BFGS:   34 16:49:47      -39.995399         1.451157
BFGS:   35 16:49:47      -40.132169         0.340612
BFGS:   36 16:49:47      -40.139165         0.039783
BFGS:   37 16:49:48      -40.139258         0.000928
BFGS:   38 16:49:48      -40.139258         0.000002
BFGS:   39 16:49:49      -40.139258         0.000000
Minimization converged after 39 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.592944817516037e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Hg', 'Hg', 'Hg', 'Hg', 'Te', 'Te', 'Te', 'Te']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.71923394e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 9.65892745e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.28785699e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.91885461e-66 0.00000000e+00]
 [5.71923394e-49 5.00000000e-01 3.21964248e-34]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.785450447247915, 4.1958582819472736e-32, 3.2963500970543935e-32], [-2.974322730845392e-32, 4.785450447247915, 1.6055618179623838e-17], [-9.551518157286493e-32, 1.605561817962394e-17, 4.785450447247914]])
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 =  [-8.59294482e-12 -8.59294482e-12 -8.59294482e-12  1.40705572e-27
  2.24266069e-35  2.92318259e-51]
energy per atom =  -5.0174072981391165
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0