./iterations/neb0_image09_iter12.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 {} {0.471521203413 0.215268474229 0.495867439976} O1 1 1
14 {} {0.336282852018 0.216119599231 0.587614612724} Si1 2 1
14 {} {0.60405293978 0.298583160624 0.443994818356} Si2 3 1
8 {} {0.561940788539 0.450469819113 0.398743662254} O2 4 1
8 {} {0.326905598386 0.356979818049 0.67589820216} O3 5 1
14 {} {0.294989715558 0.517289766178 0.669024314439} Si3 6 1
14 {} {0.506299050264 0.598266049327 0.446541343779} Si4 7 1
1 {} {0.343122763676 0.105481980221 0.685635820909} H1 8 1
1 {} {0.218025542556 0.206369337293 0.49784381807} H2 9 1
1 {} {0.65839209229 0.226211333472 0.326073579956} H3 10 1
1 {} {0.703650507513 0.305752341668 0.555207952037} H4 11 1
1 {} {0.144283321106 0.531642295483 0.662850028958} H5 12 1
1 {} {0.345920840352 0.57192287394 0.800539458416} H6 13 1
1 {} {0.322268116645 0.887435775408 0.41052264046} H7 14 1
1 {} {0.494171146108 0.675062384239 0.319768385557} H8 15 1
1 {} {0.607871800687 0.664701325696 0.531830820331} H10 16 1
8 {} {0.365761004451 0.587819168604 0.54073680735} O 17 1
1 {} {0.304626867553 0.857142456447 0.482364295124} 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