element(s):
['Br', 'Cs']
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:
['7.3847']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Br', 'Cs']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[7.3847, 0, 0], [0, 7.3847, 0], [0, 0, 7.3847]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:20:51      -36.959306        3.6711
BFGS:    1 14:20:51      -37.488637        3.3781
BFGS:    2 14:20:51      -37.970028        3.0308
BFGS:    3 14:20:51      -38.394824        2.6223
BFGS:    4 14:20:51      -38.753283        2.1450
BFGS:    5 14:20:51      -39.037443        1.6130
BFGS:    6 14:20:51      -39.232500        0.9724
BFGS:    7 14:20:51      -39.324932        0.2396
BFGS:    8 14:20:51      -39.330246        0.0248
BFGS:    9 14:20:51      -39.330302        0.0005
BFGS:   10 14:20:51      -39.330302        0.0000
BFGS:   11 14:20:51      -39.330302        0.0000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.726121281946005e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'Br', 'Br', 'Br', 'Cs', 'Cs', 'Cs', 'Cs']
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 0.00000000e+00 0.00000000e+00]
 [1.45623359e-49 5.00000000e-01 0.00000000e+00]
 [2.74818092e-67 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[7.0479190891765136, -1.6573131573583168e-32, -2.2444786744619666e-32], [4.430030032396722e-33, 7.0479190891765136, -2.78393684542152e-17], [-1.2148996254085854e-32, -2.7839368454215226e-17, 7.0479190891765136]])
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 =  [-9.72612128e-13 -9.72612128e-13 -9.72612128e-13  6.44956668e-28
 -8.27136880e-35  2.96532984e-50]
energy per atom =  -4.916287698037991
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0