./iterations/neb0_image02_iter73.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.468214933424 0.236643208229 0.476567358213} O1 1 1
14 {} {0.329690345872 0.24391534256 0.564546523638} Si1 2 1
14 {} {0.595371319656 0.331039725488 0.431476684918} Si2 3 1
8 {} {0.542142515314 0.474990213945 0.37461245029} O2 4 1
8 {} {0.330490203147 0.375333772143 0.662346063042} O3 5 1
14 {} {0.266465866594 0.516904365595 0.71483447635} Si3 6 1
14 {} {0.530010533946 0.639210290107 0.37987020676} Si4 7 1
1 {} {0.32340506614 0.122389465539 0.649850449659} H1 8 1
1 {} {0.213576441504 0.251187477297 0.471968931192} H2 9 1
1 {} {0.666256172342 0.260169479753 0.321670293743} H3 10 1
1 {} {0.682676225527 0.354278662459 0.550136211411} H4 11 1
1 {} {0.121398543675 0.49621508171 0.736972964367} H5 12 1
1 {} {0.339673002117 0.557376726757 0.838258700463} H6 13 1
1 {} {0.387916073979 0.678624271751 0.356915040282} H7 14 1
1 {} {0.616001690418 0.697752600654 0.273502235651} H8 15 1
1 {} {0.577041912157 0.69101391963 0.512362131488} H10 16 1
8 {} {0.280624977774 0.635620747639 0.59929585152} O 17 1
1 {} {0.339130295444 0.709852627169 0.615871409022} 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