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CIF file

# This CIF file was created by TO_anneal version 1.007

data_210_1_338_bgbmin.cif
# energy = 3.026060
#FD = 29.44 T-atoms/1000 Angstroms^3

_cell_length_a           14.8284
_cell_length_b           14.8284
_cell_length_c           14.8284
_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 0.33686 0.10726 0.01546
O O_11_1 0.38254 0.00000 0.00000
O O_11_2 0.16378 -0.06684 0.12500
O O_11_3 0.30411 -0.05411 0.12500

_iza_sc_Energy_eV_TO2 = 3.026060

_iza_sc_FrameworkDensity = 29.443698

_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 14.828354409 0.336857830 0.107262092 0.015459346 0.382539049 0.163778085 -0.066840320 0.124999997 -0.054113566 3.026059641
# Graph Descriptor
# 210
# 1
# 0 
# 3
# 0 5 0
# 0 10 0
# 0 29 0

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210_1_338 Dupes Run TOTOPOL

CIF file