./iterations/neb0_image07_iter293.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.481590566998 0.20293787813 0.502361622656} O1 1 1
14 {} {0.339858999598 0.210738650638 0.585675856337} Si1 2 1
14 {} {0.609825141162 0.294154569166 0.456165266701} Si2 3 1
8 {} {0.566705785424 0.450058794743 0.437129252878} O2 4 1
8 {} {0.319559102017 0.360531639636 0.649577990098} O3 5 1
14 {} {0.288931691409 0.520604399008 0.648441848541} Si3 6 1
14 {} {0.496360470089 0.597009094218 0.434093841055} Si4 7 1
1 {} {0.341120316588 0.113897871333 0.698487605208} H1 8 1
1 {} {0.231539663746 0.180976296258 0.489036971635} H2 9 1
1 {} {0.659589404129 0.244653769431 0.324663346989} H3 10 1
1 {} {0.71456761975 0.285927811952 0.562517671511} H4 11 1
1 {} {0.142197716816 0.542550489649 0.653001830907} H5 12 1
1 {} {0.354679910144 0.5818824556 0.76665631011} H6 13 1
1 {} {0.342150531934 0.90255070567 0.480353413173} H7 14 1
1 {} {0.469918294832 0.636358818289 0.293660674169} H8 15 1
1 {} {0.5909269857 0.691353568294 0.499620071062} H10 16 1
8 {} {0.352006789352 0.589833530688 0.512892845273} O 17 1
1 {} {0.308556753478 0.866497599845 0.536721317667} 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