./iterations/neb0_image04_iter35.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.470549376662 0.229748314825 0.483111441033} O1 1 1
14 {} {0.332926814097 0.23597573265 0.571910096592} Si1 2 1
14 {} {0.590621181108 0.331434828317 0.436700025693} Si2 3 1
8 {} {0.528526767169 0.477985149467 0.397661033081} O2 4 1
8 {} {0.333692283582 0.37336089995 0.657295600987} O3 5 1
14 {} {0.278562968199 0.524096292845 0.697587641394} Si3 6 1
14 {} {0.5154724051 0.6441032908 0.403264118308} Si4 7 1
1 {} {0.33054324464 0.118986346057 0.66248810158} H1 8 1
1 {} {0.21596154799 0.233499069709 0.482021597556} H2 9 1
1 {} {0.659736967952 0.252898766559 0.328939851975} H3 10 1
1 {} {0.689256512862 0.334143391441 0.549071527273} H4 11 1
1 {} {0.129701957574 0.522239497035 0.704683932679} H5 12 1
1 {} {0.340430755797 0.561980226982 0.827882995891} H6 13 1
1 {} {0.392065349707 0.730316505242 0.402761255549} H7 14 1
1 {} {0.56874458903 0.688192726312 0.272198900849} H8 15 1
1 {} {0.586661409146 0.68341098764 0.526916993226} H10 16 1
8 {} {0.332045025772 0.62099429609 0.57738547114} O 17 1
1 {} {0.314586973073 0.709151640252 0.549177428061} 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
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
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 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 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