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CIF file

# This CIF file was created by TO_anneal version 1.007

data_209_1_381_bgbmin.cif
# energy = 1.330501
#FD = 22.64 T-atoms/1000 Angstroms^3

_cell_length_a           16.1845
_cell_length_b           16.1845
_cell_length_c           16.1845
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'F 4 3 2'
_symmetry_Int_Tables_number 209

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.21233 0.17712 0.06494
O O_11_1 0.23549 0.14568 -0.12153
O O_11_2 0.14270 0.14270 0.00000
O O_11_3 0.30014 0.19986 0.00000

_iza_sc_Energy_eV_TO2 = 1.330501

_iza_sc_FrameworkDensity = 22.644846

_iza_sc_avgTD10 = 1225.000

loop_
_iza_sc_CoordinationSequence
1 4 9 20 42 71 105 157 217 276 323 411 511 591 657 787

loop_
_iza_sc_VertexSymbols
3.4.8.9_{4}.8.9_{4}

#MMJT_TO_anneal_parms 9 16.184549770 0.212326951 0.177121926 0.064938919 0.235490358 0.145684058 -0.121534438 0.142704411 0.199858226 1.330500509
# Graph Descriptor
# 209
# 1
# 0 
# 3
# 0 11 0
# 0 35 0
# 0 38 0

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209_1_381 Dupes Run TOTOPOL

CIF file