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CIF file

# This CIF file was created by TO_anneal version 1.007

data_210_1_360_bgbmin.cif
# energy = 2.421178
#FD = 23.17 T-atoms/1000 Angstroms^3

_cell_length_a           16.0623
_cell_length_b           16.0623
_cell_length_c           16.0623
_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 0.11588 0.11034 -0.00801
O O_11_1 0.10844 0.00000 0.00000
O O_11_2 0.17686 -0.07782 0.07782
O O_11_3 0.18608 0.06392 0.12500

_iza_sc_Energy_eV_TO2 = 2.421178

_iza_sc_FrameworkDensity = 23.165972

_iza_sc_avgTD10 = 1214.000

loop_
_iza_sc_CoordinationSequence
1 4 10 21 35 59 98 154 200 275 357 428 491 607 728 802

loop_
_iza_sc_VertexSymbols
3.6.6.6_{2}.6.14_{10}

#MMJT_TO_anneal_parms 9 16.062269194 0.115883087 0.110344688 -0.008006210 0.108439623 0.176863877 -0.077816889 0.077816891 0.063922892 2.421177624
# Graph Descriptor
# 210
# 1
# 0 
# 3
# 0 5 0
# 0 13 0
# 0 30 0

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210_1_360 Dupes Run TOTOPOL

CIF file