./iterations/neb0_image06_iter59.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 {} {0.469523635247 0.219844627734 0.482858262941} O1 1 1
14 {} {0.331328428585 0.22749475396 0.572783379496} Si1 2 1
14 {} {0.594549520946 0.319186996509 0.442920813095} Si2 3 1
8 {} {0.538711832949 0.468122355594 0.405358059317} O2 4 1
8 {} {0.33189202573 0.358265590611 0.672383888248} O3 5 1
14 {} {0.294384451193 0.517985499499 0.683812850858} Si3 6 1
14 {} {0.497575673536 0.620017242343 0.451359208426} Si4 7 1
1 {} {0.329419539171 0.109717552495 0.663081620276} H1 8 1
1 {} {0.213505806858 0.232935631882 0.479782110031} H2 9 1
1 {} {0.658014088737 0.262067394703 0.322305849956} H3 10 1
1 {} {0.691234117503 0.334972822054 0.555520351005} H4 11 1
1 {} {0.146147751632 0.53794868339 0.679655005177} H5 12 1
1 {} {0.348612575692 0.571288170826 0.812102586615} H6 13 1
1 {} {0.367850901847 0.785064209846 0.424635241987} H7 14 1
1 {} {0.504244512608 0.682883423592 0.31493026851} H8 15 1
1 {} {0.599342708888 0.689670493709 0.536515006011} H10 16 1
8 {} {0.365891290811 0.59271941573 0.554656227739} O 17 1
1 {} {0.327857258626 0.742333087799 0.476397253926} 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