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CIF file

# This CIF file was created by TO_anneal version 1.009

data_15_2_134321_bgbmin.cif
# energy = 0.371908
#FD = 27.63 T-atoms/1000 Angstroms^3

_cell_length_a           15.3146
_cell_length_b           7.3247
_cell_length_c           5.3810
_cell_angle_alpha        90.0000
_cell_angle_beta         106.3646
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'C 2/c'
_symmetry_Int_Tables_number 15

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.08288 0.09697 0.38918
O O_11_1 0.00000 0.24320 0.25000
O O_11_2 0.42576 0.43301 0.31735
O O_12_1 0.19077 0.11686 0.42305
Si Si2 0.22327 0.46670 0.00072
O O_22_1 0.25000 0.25000 0.00000
O O_22_2 0.16386 0.49076 0.20583

_iza_sc_Energy_eV_TO2 = 0.371908

_iza_sc_FrameworkDensity = 27.626402

_iza_sc_avgTD10 = 708.000

loop_
_iza_sc_CoordinationSequence
1 4 8 14 25 42 63 84 110 148 186 214 250 310 371 408 
1 4 10 19 31 48 69 93 120 150 186 226 268 313 361 416

loop_
_iza_sc_VertexSymbols
4.4.4.4.12_{2}.0
4.6.4.6.6.12_{2}

#MMJT_TO_anneal_parms 20 15.314637783 7.324667401 5.380978827 1.856411849 0.082877766 0.096966574 0.389180725 0.223268797 0.466700100 0.000719760 0.243199738 0.425755159 0.433012160 0.317345887 0.190767157 0.116859587 0.423046032 0.163857925 0.490758232 0.205825775 0.371907620
# Graph Descriptor
# 15
# 2
# 0 0 
# 5
# 0 5 0
# 0 19 0
# 0 8 1
# 1 17 1
# 1 21 1

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15_2_134321 Dupes Run TOTOPOL

CIF file