element(s):
['Cd', 'S']
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:
['5.4812']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cd', 'S']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[5.4812, 0, 0], [0, 5.4812, 0], [0, 0, 5.4812]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:23:43      -14.664120        2.9890
BFGS:    1 14:23:43      -15.050881        3.0492
BFGS:    2 14:23:43      -15.513444        3.1180
BFGS:    3 14:23:43      -15.986158        3.1844
BFGS:    4 14:23:43      -16.468690        3.2576
BFGS:    5 14:23:43      -16.961879        3.3176
BFGS:    6 14:23:43      -17.465012        3.3997
BFGS:    7 14:23:43      -17.978855        3.4505
BFGS:    8 14:23:43      -18.499808        3.4943
BFGS:    9 14:23:43      -19.026741        3.5300
BFGS:   10 14:23:43      -19.558306        3.5558
BFGS:   11 14:23:43      -20.092919        3.5703
BFGS:   12 14:23:43      -20.628703        3.5711
BFGS:   13 14:23:43      -21.163458        3.5561
BFGS:   14 14:23:43      -21.694629        3.5228
BFGS:   15 14:23:43      -22.219248        3.4683
BFGS:   16 14:23:43      -22.733878        3.3891
BFGS:   17 14:23:43      -23.235407        3.2924
BFGS:   18 14:23:43      -23.719218        3.1526
BFGS:   19 14:23:43      -24.179329        2.9761
BFGS:   20 14:23:43      -24.609797        2.7558
BFGS:   21 14:23:43      -25.003598        2.4861
BFGS:   22 14:23:43      -25.352920        2.2191
BFGS:   23 14:23:43      -25.657564        1.8313
BFGS:   24 14:23:43      -25.898624        1.3697
BFGS:   25 14:23:43      -26.064267        0.8239
BFGS:   26 14:23:43      -26.140977        0.1818
BFGS:   27 14:23:43      -26.144470        0.0188
BFGS:   28 14:23:43      -26.144506        0.0004
BFGS:   29 14:23:43      -26.144506        0.0000
BFGS:   30 14:23:43      -26.144506        0.0000
Minimization converged after 30 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.8401826672935965e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cd', 'Cd', 'Cd', 'Cd', 'S', 'S', 'S', 'S']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.98353417e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.71832169e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 7.45883543e-50]
 [2.38682734e-48 5.00000000e-01 3.35916085e-34]
 [0.00000000e+00 3.35916085e-34 5.00000000e-01]]
cellpar =  Cell([[4.58669300532414, -2.322409564199031e-33, 5.786026859519369e-33], [3.322734554861004e-32, 4.586693005324139, -1.790973406236512e-17], [-5.3587178212054925e-33, -1.7909734062365104e-17, 4.58669300532414]])
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 =  [-2.84018267e-12 -2.84018267e-12 -2.84018267e-12  1.42663246e-29
 -9.76494638e-35  4.67201024e-52]
energy per atom =  -3.2680632843233357
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0