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CIF file

# This CIF file was created by TO_anneal version 1.009

data_10_2_619_bgbmin.cif
# energy = 0.001324
#FD = 22.26 T-atoms/1000 Angstroms^3

_cell_length_a           10.3442
_cell_length_b           8.0204
_cell_length_c           4.9194
_cell_angle_alpha        90.0000
_cell_angle_beta         118.3019
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'P 2/m'
_symmetry_Int_Tables_number 10

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.16741 0.18923 0.16091
O O_11_1 0.00000 0.25745 1.00000
O O_11_2 0.16977 0.00000 0.04772
O O_12_1 0.23439 0.19248 0.53272
O O_12_2 0.26554 0.30798 0.06392
Si Si2 0.33270 0.31073 0.82601
O O_22_1 0.50000 0.24201 1.00000
O O_22_2 0.33089 0.50000 0.70854

_iza_sc_Energy_eV_TO2 = 0.001324

_iza_sc_FrameworkDensity = 22.262632

_iza_sc_avgTD10 = 959.000

loop_
_iza_sc_CoordinationSequence
1 4 11 24 41 62 90 122 157 200 247 296 354 416 479 552 
1 4 11 24 41 62 90 122 157 200 247 296 354 416 479 552

loop_
_iza_sc_VertexSymbols
4.6_{2}.6.6.6.6
4.6_{2}.6.6.6.6

#MMJT_TO_anneal_parms 22 10.344179871 8.020364758 4.919406239 2.064756949 0.167414583 0.189231173 0.160909219 0.332698797 0.310731249 0.826014803 0.257448218 0.169765396 0.047715133 0.234393298 0.192482388 0.532715326 0.265538511 0.307981319 0.063918325 0.242007314 0.330894883 0.708544691 0.001323747
# Graph Descriptor
# 10
# 2
# 0 0 
# 6
# 0 3 0
# 0 21 0
# 0 0 1
# 0 2 1
# 1 8 1
# 1 24 1

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10_2_619 Dupes Run TOTOPOL

CIF file