iterations/neb0_image02_iter10.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.468066341621 0.23944938002 0.474906482274} O1 1 1
14 {} {0.328632656117 0.244438868125 0.559720831823} Si1 2 1
14 {} {0.602375721922 0.324906399011 0.433820997108} Si2 3 1
8 {} {0.559374759349 0.473431977388 0.370190699532} O2 4 1
8 {} {0.33152527824 0.376859818609 0.661142347396} O3 5 1
14 {} {0.271089840665 0.517026285209 0.719724148165} Si3 6 1
14 {} {0.51663607457 0.636456618562 0.378764952005} Si4 7 1
1 {} {0.320423881779 0.123411314691 0.644928642007} H1 8 1
1 {} {0.214062023833 0.25619357117 0.466173609179} H2 9 1
1 {} {0.673086548744 0.245488383747 0.329168521895} H3 10 1
1 {} {0.687834017969 0.343993177531 0.554861802896} H4 11 1
1 {} {0.122970220236 0.493727096833 0.736419269241} H5 12 1
1 {} {0.342672028834 0.537004879139 0.849742430501} H6 13 1
1 {} {0.384725565271 0.706898913412 0.347680675535} H7 14 1
1 {} {0.600410667313 0.701605954253 0.274371242478} H8 15 1
1 {} {0.566375584237 0.68591875238 0.512561201122} H10 16 1
8 {} {0.284659566749 0.634987350993 0.61740418952} O 17 1
1 {} {0.335165364303 0.730719220351 0.599475950194} 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