iterations/neb0_image06_iter191.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 {} {0.475146723221 0.224185191801 0.486786022456} O1 1 1
14 {} {0.33213641034 0.217379166255 0.565268119286} Si1 2 1
14 {} {0.607453099433 0.317303017206 0.456352334364} Si2 3 1
8 {} {0.569900502177 0.475100364669 0.459929141438} O2 4 1
8 {} {0.305281952283 0.353888647518 0.653381459288} O3 5 1
14 {} {0.286825493903 0.516788863833 0.655080802365} Si3 6 1
14 {} {0.484717447888 0.613027208943 0.44671830496} Si4 7 1
1 {} {0.337170511329 0.104991886039 0.661455224906} H1 8 1
1 {} {0.223822068141 0.203213415301 0.464582395179} H2 9 1
1 {} {0.658072594136 0.285260535307 0.320846248325} H3 10 1
1 {} {0.710417617006 0.29413035888 0.561049689855} H4 11 1
1 {} {0.14578948359 0.546936475597 0.692908429549} H5 12 1
1 {} {0.378488529538 0.579843853621 0.753866950651} H6 13 1
1 {} {0.390306174261 0.813138081123 0.526207981414} H7 14 1
1 {} {0.469037949702 0.658756214138 0.305758324021} H8 15 1
1 {} {0.582425921866 0.707695705579 0.509970084691} H10 16 1
8 {} {0.330190829461 0.57737222773 0.507045908401} O 17 1
1 {} {0.322902627822 0.78350664271 0.503850654184} 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