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CIF file

# This CIF file was created by TO_anneal version 1.007

data_203_1_285_bgbmin.cif
# energy = 3.962331
#FD = 33.33 T-atoms/1000 Angstroms^3

_cell_length_a           14.2276
_cell_length_b           14.2276
_cell_length_c           14.2276
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_space_group_name_H-M_alt  'F d -3:1'
_symmetry_Int_Tables_number 203

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.20692 0.20692 -0.00804
O O_11_1 0.23942 0.14797 0.08808
O O_11_2 0.28718 0.16390 0.00994

_iza_sc_Energy_eV_TO2 = 3.962331

_iza_sc_FrameworkDensity = 33.333333

_iza_sc_avgTD10 = 791.000

loop_
_iza_sc_CoordinationSequence
1 4 10 20 34 52 74 100 130 164 202 244 290 340 394 452

loop_
_iza_sc_VertexSymbols
4.4.6.6.6.6

#MMJT_TO_anneal_parms 10 14.227573333 0.206924804 0.206924774 -0.008037488 0.239423188 0.147967748 0.088084944 0.287179754 0.163897921 0.009943204 3.962330545
# Graph Descriptor
# 203
# 1
# 0 
# 2
# 0 47 0
# 0 51 0

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203_1_285 Dupes Run TOTOPOL

CIF file