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CIF file

# This CIF file was created by TO_anneal version 1.007

data_210_1_238_bgbmin.cif
# energy = 4.803606
#FD = 19.76 T-atoms/1000 Angstroms^3

_cell_length_a           16.9368
_cell_length_b           16.9368
_cell_length_c           16.9368
_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 0.39113 0.00138 0.10887
O O_11_1 0.39741 0.00000 0.00000
O O_11_2 0.34300 0.05461 -0.04912
O O_11_3 0.31299 -0.06299 0.12500

_iza_sc_Energy_eV_TO2 = 4.803606

_iza_sc_FrameworkDensity = 19.759535

_iza_sc_avgTD10 = 638.000

loop_
_iza_sc_CoordinationSequence
1 4 8 14 20 30 48 70 108 154 181 236 310 390 435 516

loop_
_iza_sc_VertexSymbols
3.18_{256}.4.6.4.6

#MMJT_TO_anneal_parms 9 16.936805743 0.391134596 0.001380050 0.108865236 0.397414375 0.342996259 0.054614122 -0.049116552 -0.062990851 4.803606339
# Graph Descriptor
# 210
# 1
# 0 
# 3
# 0 2 0
# 0 12 0
# 0 23 0

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210_1_238 Dupes Run TOTOPOL

CIF file