./iterations/neb0_image03_iter145.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 {} {0.462245252214 0.25258021864 0.490823943809} O1 1 1
14 {} {0.326344803286 0.234635027397 0.581191874895} Si1 2 1
14 {} {0.582469622388 0.346640443857 0.431752299789} Si2 3 1
8 {} {0.524971543791 0.489967526693 0.379264543972} O2 4 1
8 {} {0.313356190074 0.351409325695 0.696031364046} O3 5 1
14 {} {0.265573811159 0.507468176862 0.722972484074} Si3 6 1
14 {} {0.551699720654 0.652142871624 0.371337095338} Si4 7 1
1 {} {0.335053779826 0.102948592772 0.650681029083} H1 8 1
1 {} {0.207981991745 0.239800570165 0.48968572967} H2 9 1
1 {} {0.644319655576 0.272640133849 0.318512960452} H3 10 1
1 {} {0.682275031427 0.371913262035 0.539378867002} H4 11 1
1 {} {0.116639840343 0.517887277866 0.724727835715} H5 12 1
1 {} {0.324411512505 0.544297533568 0.85339935073} H6 13 1
1 {} {0.421295682091 0.715032171365 0.336403494798} H7 14 1
1 {} {0.650840854768 0.67936873476 0.26445053611} H8 15 1
1 {} {0.605046774556 0.708794755909 0.498249102852} H10 16 1
8 {} {0.325189261716 0.605016682791 0.603998121506} O 17 1
1 {} {0.270370854383 0.679974728625 0.578197208577} 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