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CIF file

# This CIF file was created by TO_anneal version 1.007

data_210_1_341_bgbmin.cif
# energy = 0.348039
#FD = 24.91 T-atoms/1000 Angstroms^3

_cell_length_a           15.6773
_cell_length_b           15.6773
_cell_length_c           15.6773
_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 0.29649 0.08440 0.05942
O O_11_1 0.31664 0.00000 0.00000
O O_11_2 0.20314 -0.07893 0.10131
O O_11_3 0.19930 0.12500 0.05070

_iza_sc_Energy_eV_TO2 = 0.348039

_iza_sc_FrameworkDensity = 24.914971

_iza_sc_avgTD10 = 988.000

loop_
_iza_sc_CoordinationSequence
1 4 10 21 35 59 94 129 165 206 264 322 373 444 519 593

loop_
_iza_sc_VertexSymbols
3.6.6.6_{2}.6.12_{4}

#MMJT_TO_anneal_parms 9 15.677264382 0.296486201 0.084403494 0.059417980 0.316637959 0.203138365 -0.078928981 0.101307176 0.050700953 0.348039114
# Graph Descriptor
# 210
# 1
# 0 
# 3
# 0 5 0
# 0 10 0
# 0 38 0

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210_1_341 Dupes Run TOTOPOL

CIF file