./iterations/neb0_image09_iter92.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472171866746 0.213498327404 0.494914421598} O1 1 1
14 {} {0.335674428442 0.216274424177 0.586216767853} Si1 2 1
14 {} {0.603120964218 0.299491704283 0.444945953112} Si2 3 1
8 {} {0.560739399828 0.452074740427 0.400895329689} O2 4 1
8 {} {0.328159975342 0.35431198535 0.676213020791} O3 5 1
14 {} {0.296676877195 0.515621389045 0.669745537276} Si3 6 1
14 {} {0.506979816883 0.599276346054 0.450850558746} Si4 7 1
1 {} {0.339637662869 0.101814773332 0.680675447122} H1 8 1
1 {} {0.218216942759 0.209586941262 0.494700178699} H2 9 1
1 {} {0.659137336027 0.23255609539 0.325035709337} H3 10 1
1 {} {0.701911221145 0.305704787493 0.556558155899} H4 11 1
1 {} {0.15024773312 0.53806250663 0.656301945009} H5 12 1
1 {} {0.35136306011 0.575626669069 0.794336555805} H6 13 1
1 {} {0.323283524099 0.879426912611 0.414228748355} H7 14 1
1 {} {0.476143071047 0.678983067035 0.329621835516} H8 15 1
1 {} {0.611776753564 0.663655423456 0.535234724304} H10 16 1
8 {} {0.368492672538 0.58440169992 0.538851643007} O 17 1
1 {} {0.30635286609 0.852150161628 0.481731434288} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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