./iterations/neb0_image06_iter205.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.475230235559 0.225573834552 0.4853056963} O1 1 1
14 {} {0.331307181497 0.216614829821 0.565315468557} Si1 2 1
14 {} {0.608884755839 0.317939708933 0.458422421788} Si2 3 1
8 {} {0.572137962605 0.476431074501 0.470726503098} O2 4 1
8 {} {0.300930807996 0.353314626678 0.651093911448} O3 5 1
14 {} {0.285485561536 0.516230748323 0.653105999745} Si3 6 1
14 {} {0.486265983633 0.613409755619 0.447731076855} Si4 7 1
1 {} {0.3357045516 0.104036560471 0.663901331448} H1 8 1
1 {} {0.224340551112 0.198747120028 0.462589778465} H2 9 1
1 {} {0.654818337859 0.292100900448 0.319340492338} H3 10 1
1 {} {0.713033355521 0.293252866823 0.562494939502} H4 11 1
1 {} {0.145152597041 0.547564960119 0.695018238534} H5 12 1
1 {} {0.381656060709 0.577909538414 0.747458403622} H6 13 1
1 {} {0.389482697961 0.810383044369 0.530953197019} H7 14 1
1 {} {0.46826610207 0.655232153793 0.305987791338} H8 15 1
1 {} {0.586046803581 0.711974955819 0.503398982343} H10 16 1
8 {} {0.329593318618 0.577012352096 0.505469439371} O 17 1
1 {} {0.321749063423 0.784788853681 0.502744428092} 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