iterations/neb0_image05_iter118.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.471525402807 0.228051986094 0.489122444897} O1 1 1
14 {} {0.330578203341 0.224281190779 0.571718719885} Si1 2 1
14 {} {0.594028505552 0.332882982206 0.449962204084} Si2 3 1
8 {} {0.534724838495 0.483854126396 0.4317650871} O2 4 1
8 {} {0.322101838457 0.358186639212 0.669373592279} O3 5 1
14 {} {0.284458825507 0.51587063061 0.676689762241} Si3 6 1
14 {} {0.50928562401 0.651778866356 0.428254271122} Si4 7 1
1 {} {0.32965752899 0.103842487041 0.659936541834} H1 8 1
1 {} {0.212173354382 0.224291619777 0.478684762919} H2 9 1
1 {} {0.649387751518 0.277158769204 0.324034860261} H3 10 1
1 {} {0.696697789926 0.327276396714 0.55804194607} H4 11 1
1 {} {0.137672145007 0.533180190821 0.689520648939} H5 12 1
1 {} {0.360526934038 0.577804317712 0.787387793913} H6 13 1
1 {} {0.416367526215 0.776332628058 0.444972744973} H7 14 1
1 {} {0.522050020891 0.674790599361 0.279678114016} H8 15 1
1 {} {0.614128727222 0.697853010008 0.527419719803} H10 16 1
8 {} {0.327153473669 0.595514681358 0.53375236237} O 17 1
1 {} {0.297567578574 0.689566794128 0.530742429279} 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