./iterations/neb0_image04_iter152.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.464073562227 0.246429047682 0.486028293159} O1 1 1
14 {} {0.326080903719 0.229712390978 0.573681366095} Si1 2 1
14 {} {0.587612816615 0.343915554007 0.442833298496} Si2 3 1
8 {} {0.532370569915 0.496171198724 0.412325537023} O2 4 1
8 {} {0.305306561824 0.353080775277 0.678608960439} O3 5 1
14 {} {0.261531136456 0.509446763365 0.705424831901} Si3 6 1
14 {} {0.549964151227 0.660620016399 0.400567557338} Si4 7 1
1 {} {0.335652191638 0.104459002172 0.652884700158} H1 8 1
1 {} {0.214531401261 0.221614970966 0.474861092186} H2 9 1
1 {} {0.646814355019 0.288272971665 0.319580948529} H3 10 1
1 {} {0.690827381769 0.348957620468 0.549647486488} H4 11 1
1 {} {0.113689190315 0.522450776721 0.726510304034} H5 12 1
1 {} {0.34264076736 0.554750375093 0.821098942345} H6 13 1
1 {} {0.420151777109 0.733490220506 0.411657872877} H7 14 1
1 {} {0.605024654083 0.690158031469 0.263686154943} H8 15 1
1 {} {0.645502045085 0.710796437704 0.506744636513} H10 16 1
8 {} {0.30874680427 0.592662335695 0.572515058286} O 17 1
1 {} {0.2595657861 0.665529376128 0.532401001463} 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