Viewer

CIF file

# This CIF file was created by TO_anneal version 1.007

data_209_1_201_bgbmin.cif
# energy = 4.683420
#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
_symmetry_space_group_name_H-M  'F 4 3 2'
_symmetry_Int_Tables_number 209

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.20687 0.10860 0.10860
O O_11_1 0.25000 0.25000 0.12354
O O_11_2 0.25832 0.11224 -0.00108
O O_11_3 0.13106 0.13106 0.00000

_iza_sc_Energy_eV_TO2 = 4.683420

_iza_sc_FrameworkDensity = 33.333327

_iza_sc_avgTD10 = 1294.000

loop_
_iza_sc_CoordinationSequence
1 4 10 22 44 68 111 163 221 284 366 462 549 659 767 892

loop_
_iza_sc_VertexSymbols
4.4.6.8.6.8

#MMJT_TO_anneal_parms 9 14.227574073 0.206873327 0.108601585 0.108601523 0.123544800 0.258324703 0.112244232 -0.001084138 0.131057426 4.683420030
# Graph Descriptor
# 209
# 1
# 0 
# 3
# 0 6 0
# 0 47 0
# 0 61 0

Viewer

209_1_201 Dupes Run TOTOPOL

CIF file