./iterations/neb0_image09_iter91.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 {} {0.472178044862 0.213478990804 0.494918485274} O1 1 1
14 {} {0.335692093228 0.216267098084 0.586215919009} Si1 2 1
14 {} {0.603119905992 0.299500802747 0.444944109363} Si2 3 1
8 {} {0.560700047247 0.452059518876 0.400920979884} O2 4 1
8 {} {0.328174693046 0.354358513738 0.676205153429} O3 5 1
14 {} {0.296707830671 0.515650391122 0.669684789878} Si3 6 1
14 {} {0.507005206667 0.599295019939 0.450831825425} Si4 7 1
1 {} {0.339644896014 0.101820421136 0.680695395792} H1 8 1
1 {} {0.218217160717 0.209572199865 0.494719879805} H2 9 1
1 {} {0.659136487122 0.232561453457 0.325031811003} H3 10 1
1 {} {0.701905368693 0.305697893201 0.556566101277} H4 11 1
1 {} {0.150254821791 0.538069274029 0.656276411031} H5 12 1
1 {} {0.351364754911 0.575649247156 0.794314929414} H6 13 1
1 {} {0.323301926534 0.879389358897 0.414175449982} H7 14 1
1 {} {0.476104672078 0.678973597891 0.32964457133} H8 15 1
1 {} {0.611769300713 0.663651901695 0.535260027017} H10 16 1
8 {} {0.368435349863 0.584396378852 0.538876343113} O 17 1
1 {} {0.306373611609 0.852125892143 0.481775784785} 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