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CIF file

# This CIF file was created by TO_anneal version 1.009

data_200_2_455_bgbmin.cif
# energy = 0.004660
#FD = 14.67 T-atoms/1000 Angstroms^3

_cell_length_a           14.8456
_cell_length_b           14.8456
_cell_length_c           14.8456
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'P m -3'
_symmetry_Int_Tables_number 200

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.24578 0.39505 0.10213
O O_11_1 0.20836 0.38557 0.00000
O O_11_2 0.26503 0.50000 0.12446
O O_12_1 0.33855 0.33918 0.11245
O O_12_2 0.35598 0.17204 0.17146
Si Si2 0.39543 0.24693 0.10241
O O_22_1 0.38745 0.20995 0.00000
O O_22_2 0.50000 0.26679 0.12611

_iza_sc_Energy_eV_TO2 = 0.004660

_iza_sc_FrameworkDensity = 14.670640

_iza_sc_avgTD10 = 641.000

loop_
_iza_sc_CoordinationSequence
1 4 9 17 28 42 60 81 105 132 162 196 233 273 316 362 
1 4 9 17 28 42 60 81 105 132 162 196 233 273 316 362

loop_
_iza_sc_VertexSymbols
4.4.4.6.8.8
4.4.4.6.8.8

#MMJT_TO_anneal_parms 21 14.845587542 0.245775234 0.395051852 0.102127844 0.395425710 0.246932049 0.102410048 0.208358415 0.385566124 0.265032156 0.124461143 0.338554986 0.339181734 0.112454562 0.355982075 0.172044778 0.171463078 0.387454074 0.209948974 0.266791016 0.126114995 0.004659721
# Graph Descriptor
# 200
# 2
# 0 0 
# 6
# 0 34 0
# 0 37 0
# 0 0 1
# 0 11 1
# 1 34 1
# 1 39 1

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200_2_455 Dupes Run TOTOPOL

CIF file