iterations/neb0_image08_iter250.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.472761808253 0.22295984563 0.49369285737} O1 1 1
14 {} {0.331722872849 0.217776443141 0.576848948737} Si1 2 1
14 {} {0.613590208528 0.295194598199 0.452629677074} Si2 3 1
8 {} {0.590747874391 0.45495733509 0.422824549507} O2 4 1
8 {} {0.314985447627 0.350383401374 0.672978615904} O3 5 1
14 {} {0.299858113416 0.514242694074 0.665978350884} Si3 6 1
14 {} {0.510360664729 0.595985594369 0.446812640719} Si4 7 1
1 {} {0.332973424141 0.0985580809898 0.664960318955} H1 8 1
1 {} {0.220386326495 0.211932226651 0.478348069863} H2 9 1
1 {} {0.663088512113 0.231290617272 0.328378559008} H3 10 1
1 {} {0.710637136397 0.281356980978 0.564376445541} H4 11 1
1 {} {0.156841324288 0.552847588357 0.658185415333} H5 12 1
1 {} {0.366918701704 0.569464832492 0.786790897337} H6 13 1
1 {} {0.312072200537 0.913500946339 0.474367572087} H7 14 1
1 {} {0.472111089004 0.652743509081 0.314385793772} H8 15 1
1 {} {0.59757484279 0.687783577837 0.525933159255} H10 16 1
8 {} {0.370136282333 0.571907928881 0.529356821119} O 17 1
1 {} {0.273319403975 0.849631683004 0.474209028206} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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