./iterations/neb0_image03_iter251.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.456351465955 0.267656299569 0.488411537909} O1 1 1
14 {} {0.323780909307 0.239942050297 0.580127157601} Si1 2 1
14 {} {0.58497012543 0.349760003713 0.429616498368} Si2 3 1
8 {} {0.536222703414 0.493917150776 0.368576353148} O2 4 1
8 {} {0.303361494226 0.354015795861 0.69587403438} O3 5 1
14 {} {0.253786825472 0.505144909973 0.737917777567} Si3 6 1
14 {} {0.565156121645 0.656678472334 0.362737654781} Si4 7 1
1 {} {0.341412241705 0.110214380821 0.64913270594} H1 8 1
1 {} {0.205864085759 0.238982579866 0.488999976287} H2 9 1
1 {} {0.644096143896 0.269391456883 0.318827838828} H3 10 1
1 {} {0.68283270247 0.37498991691 0.540262259385} H4 11 1
1 {} {0.104863143693 0.504958012772 0.743754422583} H5 12 1
1 {} {0.316962228404 0.539133415014 0.867676053429} H6 13 1
1 {} {0.433489513087 0.722530557979 0.333000814292} H7 14 1
1 {} {0.663648043074 0.68703326134 0.254239181044} H8 15 1
1 {} {0.622388038294 0.706925044166 0.4919076202} H10 16 1
8 {} {0.307924716471 0.620275784143 0.632902621488} O 17 1
1 {} {0.262975654164 0.630968972133 0.547093101603} 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