iterations/neb0_image08_iter29.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.470397514707 0.219354999917 0.488919345019} O1 1 1
14 {} {0.334648729976 0.223005122009 0.579856994129} Si1 2 1
14 {} {0.601032677253 0.307393492701 0.442233175683} Si2 3 1
8 {} {0.552281535479 0.456860471509 0.400082296226} O2 4 1
8 {} {0.330791661344 0.359304775165 0.671766370405} O3 5 1
14 {} {0.295529731982 0.518364015911 0.673688258974} Si3 6 1
14 {} {0.503835071397 0.605437557053 0.451477464449} Si4 7 1
1 {} {0.336190763275 0.106903227103 0.672747818936} H1 8 1
1 {} {0.216901320827 0.220496849778 0.488372358455} H2 9 1
1 {} {0.662090434454 0.235619579703 0.326889116953} H3 10 1
1 {} {0.698634943751 0.317754299928 0.554449998869} H4 11 1
1 {} {0.148647086814 0.530417850459 0.676204384139} H5 12 1
1 {} {0.344946202216 0.567653940765 0.803187994239} H6 13 1
1 {} {0.331253034022 0.838504876071 0.416555516424} H7 14 1
1 {} {0.493144400052 0.677823021403 0.321335931324} H8 15 1
1 {} {0.603753836283 0.672328348389 0.53639610684} H10 16 1
8 {} {0.36693776994 0.588358280698 0.540307862106} O 17 1
1 {} {0.319069421975 0.826937259548 0.486587016827} 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
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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