./iterations/neb0_image08_iter143.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.471253600674 0.225183825793 0.492562935254} O1 1 1
14 {} {0.330783814165 0.220512043809 0.577022546939} Si1 2 1
14 {} {0.608170368378 0.303410285972 0.447810864064} Si2 3 1
8 {} {0.579573994253 0.459961091195 0.40698820563} O2 4 1
8 {} {0.32150843445 0.349500084969 0.679526697206} O3 5 1
14 {} {0.301324605099 0.51238913097 0.674411951841} Si3 6 1
14 {} {0.51033904885 0.602066030431 0.452126245259} Si4 7 1
1 {} {0.327998744581 0.0955980724536 0.65730153518} H1 8 1
1 {} {0.216943150847 0.224629539423 0.480556449703} H2 9 1
1 {} {0.662283564347 0.232355311106 0.329766732948} H3 10 1
1 {} {0.704020553057 0.301281067224 0.561053849151} H4 11 1
1 {} {0.157749995328 0.545975057106 0.659975267916} H5 12 1
1 {} {0.362129638606 0.568351557841 0.797231629304} H6 13 1
1 {} {0.326528982229 0.878838177666 0.445994815007} H7 14 1
1 {} {0.465633011885 0.674417422929 0.331560757908} H8 15 1
1 {} {0.607461694403 0.680374579128 0.532893776247} H10 16 1
8 {} {0.376330716483 0.576019039797 0.542960678869} O 17 1
1 {} {0.280052295097 0.821655607498 0.461312919771} H14 18 1
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
{a b c A B G} {0 0 0} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
12 5 0 0
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 0 0
11 5 0 0
7 1 0 0
8 1 0 0
6 3 0 0
5 4 0 0
10 2 0 0
9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
0 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end