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 15:28:36      -14.664120         2.989017
BFGS:    1 15:28:37      -15.050881         3.049183
BFGS:    2 15:28:37      -15.513444         3.117982
BFGS:    3 15:28:37      -15.986158         3.184422
BFGS:    4 15:28:37      -16.468690         3.257577
BFGS:    5 15:28:37      -16.961879         3.317569
BFGS:    6 15:28:37      -17.465012         3.399724
BFGS:    7 15:28:37      -17.978855         3.450469
BFGS:    8 15:28:37      -18.499808         3.494327
BFGS:    9 15:28:37      -19.026741         3.529951
BFGS:   10 15:28:37      -19.558306         3.555805
BFGS:   11 15:28:37      -20.092919         3.570261
BFGS:   12 15:28:37      -20.628703         3.571091
BFGS:   13 15:28:37      -21.163458         3.556144
BFGS:   14 15:28:37      -21.694629         3.522844
BFGS:   15 15:28:37      -22.219248         3.468263
BFGS:   16 15:28:37      -22.733878         3.389070
BFGS:   17 15:28:37      -23.235407         3.292358
BFGS:   18 15:28:37      -23.719218         3.152628
BFGS:   19 15:28:37      -24.179329         2.976110
BFGS:   20 15:28:37      -24.609797         2.755789
BFGS:   21 15:28:37      -25.003598         2.486083
BFGS:   22 15:28:37      -25.352920         2.219140
BFGS:   23 15:28:37      -25.657564         1.831299
BFGS:   24 15:28:37      -25.898624         1.369710
BFGS:   25 15:28:37      -26.064267         0.823867
BFGS:   26 15:28:37      -26.140977         0.181822
BFGS:   27 15:28:37      -26.144470         0.018784
BFGS:   28 15:28:37      -26.144506         0.000431
BFGS:   29 15:28:37      -26.144506         0.000001
BFGS:   30 15:28:37      -26.144506         0.000000
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