./iterations/neb0_image09_iter296.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 {} {0.47253965087 0.210410153851 0.495632083564} O1 1 1
14 {} {0.33346058209 0.214438300103 0.58290925123} Si1 2 1
14 {} {0.606901654962 0.292271209982 0.448047688174} Si2 3 1
8 {} {0.571003535095 0.448632214531 0.41444779878} O2 4 1
8 {} {0.323066940393 0.353599778242 0.669625919768} O3 5 1
14 {} {0.300357796216 0.516245718016 0.668807389659} Si3 6 1
14 {} {0.512641524904 0.597241706645 0.451807096608} Si4 7 1
1 {} {0.334112526461 0.101278877906 0.679160380886} H1 8 1
1 {} {0.219237479684 0.206137280755 0.487705919024} H2 9 1
1 {} {0.657697383931 0.229118760656 0.323562539363} H3 10 1
1 {} {0.707610717873 0.287642960247 0.558000225958} H4 11 1
1 {} {0.155107343273 0.546336171262 0.660494489534} H5 12 1
1 {} {0.361442563561 0.569854249854 0.793229876702} H6 13 1
1 {} {0.312437025734 0.918786936204 0.438881802316} H7 14 1
1 {} {0.481168903307 0.667556824084 0.325088017741} H8 15 1
1 {} {0.613708927149 0.670170060906 0.533648002472} H10 16 1
8 {} {0.372264470479 0.584157898884 0.537846818084} O 17 1
1 {} {0.275327228208 0.858638753657 0.462162361196} 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