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CIF file

# This CIF file was created by TO_anneal version 1.007

data_213_1_51_bgbmin.cif
# energy = 1.412527
#FD = 22.13 T-atoms/1000 Angstroms^3

_cell_length_a           10.2745
_cell_length_b           10.2745
_cell_length_c           10.2745
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'P 41 3 2'
_symmetry_Int_Tables_number 213

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.10872 0.32433 0.22837
O O_11_1 0.26309 0.35451 0.17028
O O_11_2 0.18676 0.24097 0.02720

_iza_sc_Energy_eV_TO2 = 1.412527

_iza_sc_FrameworkDensity = 22.127655

_iza_sc_avgTD10 = 697.000

loop_
_iza_sc_CoordinationSequence
1 4 8 13 22 38 64 89 112 150 196 229 260 324 390 425

loop_
_iza_sc_VertexSymbols
3.14_{75}.4.4.14_{30}.14_{30}

#MMJT_TO_anneal_parms 10 10.274450769 0.108724995 0.324333947 0.228372873 0.263093662 0.354506051 0.170275256 0.186757464 0.240971677 0.027202319 1.412527040
# Graph Descriptor
# 213
# 1
# 0 
# 2
# 0 7 0
# 0 41 0

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213_1_51 Dupes Run TOTOPOL

CIF file