element(s):
['Cl', 'Li']
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:
['5.1545']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cl', 'Li']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[5.1545, 0, 0], [0, 5.1545, 0], [0, 0, 5.1545]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:26:16      -56.944010       11.0701
BFGS:    1 14:26:16      -58.623468       11.3177
BFGS:    2 14:26:16      -60.337011       11.5273
BFGS:    3 14:26:16      -62.080889       11.7217
BFGS:    4 14:26:16      -63.852587       11.8976
BFGS:    5 14:26:16      -65.649058       12.0513
BFGS:    6 14:26:16      -67.466645       12.1784
BFGS:    7 14:26:16      -69.304378       12.3281
BFGS:    8 14:26:16      -71.158668       12.3892
BFGS:    9 14:26:16      -73.020403       12.4335
BFGS:   10 14:26:16      -74.883749       12.4021
BFGS:   11 14:26:16      -76.738113       12.3122
BFGS:   12 14:26:16      -78.574036       12.1546
BFGS:   13 14:26:16      -80.380580       11.9187
BFGS:   14 14:26:16      -82.145132       11.5926
BFGS:   15 14:26:16      -83.853175       11.1628
BFGS:   16 14:26:16      -85.488040       10.6142
BFGS:   17 14:26:16      -87.030612        9.9292
BFGS:   18 14:26:16      -88.465467        9.1493
BFGS:   19 14:26:16      -89.765439        8.1948
BFGS:   20 14:26:16      -90.906157        6.9786
BFGS:   21 14:26:16      -91.847445        5.5307
BFGS:   22 14:26:16      -92.552154        3.8185
BFGS:   23 14:26:16      -92.977935        1.8051
BFGS:   24 14:26:16      -93.083070        0.2903
BFGS:   25 14:26:16      -93.085600        0.0177
BFGS:   26 14:26:16      -93.085610        0.0002
BFGS:   27 14:26:16      -93.085610        0.0000
BFGS:   28 14:26:16      -93.085610        0.0000
Minimization converged after 28 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.3254753239039754e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cl', 'Cl', 'Cl', 'Cl', 'Li', 'Li', 'Li', 'Li']
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 3.51092576e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.23665698e-49 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [6.23665698e-49 1.75546288e-34 5.00000000e-01]]
cellpar =  Cell([[4.388426475582628, -4.852375070996272e-32, -1.6743189494352643e-32], [-3.1482365825673246e-32, 4.388426475582628, -5.966376309707449e-18], [-7.824131086004286e-33, -5.966376309707445e-18, 4.388426475582628]])
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 =  [ 3.32547532e-14  3.32547532e-14  3.32547532e-14  1.27842260e-30
 -4.00021030e-35 -4.96316728e-52]
energy per atom =  -11.635701239125906
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0