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CIF file

# This CIF file was created by TO_anneal version 1.007

data_200_1_7_bgbmin.cif
# energy = 4.614490
#FD = 23.30 T-atoms/1000 Angstroms^3

_cell_length_a           10.0985
_cell_length_b           10.0985
_cell_length_c           10.0985
_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 0.34526 0.16726 0.16726
O O_11_1 0.21071 0.25986 0.21071
O O_11_2 0.13134 0.34429 0.00000
O O_11_3 0.50000 0.21819 0.21817

_iza_sc_Energy_eV_TO2 = 4.614490

_iza_sc_FrameworkDensity = 23.304778

_iza_sc_avgTD10 = 894.000

loop_
_iza_sc_CoordinationSequence
1 4 9 20 38 59 84 114 148 187 230 278 331 388 450 516

loop_
_iza_sc_VertexSymbols
3.4.8.8.8_{2}.8_{2}

#MMJT_TO_anneal_parms 11 10.098466391 0.345258399 0.167261730 0.167258326 0.210713260 0.259860220 0.210713235 0.131338287 0.344292696 0.218185357 0.218166787 4.614490348
# Graph Descriptor
# 200
# 1
# 0 
# 3
# 0 11 0
# 0 36 0
# 0 39 0

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200_1_7 Dupes Run TOTOPOL

CIF file