./iterations/neb0_image04_iter230.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.465101535725 0.259297888 0.489160684018} O1 1 1
14 {} {0.325631957929 0.22919174848 0.569375949453} Si1 2 1
14 {} {0.594601214031 0.348790661121 0.44629533571} Si2 3 1
8 {} {0.551644072696 0.504042620209 0.42326395533} O2 4 1
8 {} {0.288718608791 0.347791009864 0.67715571965} O3 5 1
14 {} {0.246186961276 0.504240435973 0.70341875698} Si3 6 1
14 {} {0.574255949992 0.664985903725 0.400177250659} Si4 7 1
1 {} {0.342715527118 0.10311728273 0.646933124683} H1 8 1
1 {} {0.217031144587 0.215386471299 0.46782845635} H2 9 1
1 {} {0.646884894225 0.291448268755 0.320874868022} H3 10 1
1 {} {0.69782760319 0.344028015409 0.552240400389} H4 11 1
1 {} {0.10499157038 0.514625264526 0.752397245252} H5 12 1
1 {} {0.344798702456 0.558347898148 0.801875149491} H6 13 1
1 {} {0.446181037236 0.73460072842 0.42894680845} H7 14 1
1 {} {0.614547339121 0.691238827465 0.25871103351} H8 15 1
1 {} {0.684129940084 0.715302526292 0.488404166708} H10 16 1
8 {} {0.257803174263 0.581996973965 0.557769402285} O 17 1
1 {} {0.207034755105 0.664085321419 0.546229878128} 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