iterations/neb0_image05_iter300.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 {} {0.466847003467 0.286597811597 0.494353299509} O1 1 1
14 {} {0.324772372529 0.237773141832 0.560727221875} Si1 2 1
14 {} {0.616410076538 0.349456407384 0.476437488368} Si2 3 1
8 {} {0.617798544997 0.504602103668 0.528959818587} O2 4 1
8 {} {0.2400858438 0.366511825488 0.617321327858} O3 5 1
14 {} {0.226900510087 0.527176959747 0.647647833631} Si3 6 1
14 {} {0.580304744883 0.653936910207 0.467796813263} Si4 7 1
1 {} {0.350273208623 0.138123853636 0.669812185584} H1 8 1
1 {} {0.244264050465 0.180603360871 0.450987869063} H2 9 1
1 {} {0.649427811183 0.348393751153 0.329564492712} H3 10 1
1 {} {0.71603421813 0.272023888984 0.556681519443} H4 11 1
1 {} {0.115795888486 0.557517480789 0.743621920051} H5 12 1
1 {} {0.360634040662 0.564913220755 0.700755274399} H6 13 1
1 {} {0.552512578066 0.743236606592 0.583191331876} H7 14 1
1 {} {0.456788836911 0.647326722093 0.381443639891} H8 15 1
1 {} {0.692870416256 0.702713111782 0.383511194626} H10 16 1
8 {} {0.19256120004 0.615027744296 0.512716102221} O 17 1
1 {} {0.205804735682 0.576583267766 0.425528946035} 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