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CIF file

# This CIF file was created by TO_anneal version 1.007

data_210_1_342_bgbmin.cif
# energy = 4.755063
#FD = 33.33 T-atoms/1000 Angstroms^3

_cell_length_a           14.2276
_cell_length_b           14.2276
_cell_length_c           14.2276
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'F 41 3 2'
_symmetry_Int_Tables_number 210

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.16351 0.03232 -0.03232
O O_11_1 0.26847 0.00000 0.00000
O O_11_2 0.12991 0.08845 0.00548
O O_11_3 0.24475 0.00525 0.12500

_iza_sc_Energy_eV_TO2 = 4.755063

_iza_sc_FrameworkDensity = 33.333013

_iza_sc_avgTD10 = 570.000

loop_
_iza_sc_CoordinationSequence
1 4 8 14 20 30 48 70 99 125 151 186 233 276 310 353

loop_
_iza_sc_VertexSymbols
3.15_{12}.4.6.4.6

#MMJT_TO_anneal_parms 9 14.227618775 0.163509293 0.032319596 -0.032319534 0.268470812 0.129912611 0.088448809 0.005479965 0.005251381 4.755062812
# Graph Descriptor
# 210
# 1
# 0 
# 3
# 0 5 0
# 0 11 0
# 0 22 0

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210_1_342 Dupes Run TOTOPOL

CIF file