./iterations/neb0_image04_iter76.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 {} {0.467531160797 0.23052425007 0.484890903061} O1 1 1
14 {} {0.330636860642 0.231409632647 0.575306366287} Si1 2 1
14 {} {0.585863647755 0.335820803077 0.438030251831} Si2 3 1
8 {} {0.519405740877 0.481252050624 0.403689559892} O2 4 1
8 {} {0.324864469974 0.361697704147 0.675764661284} O3 5 1
14 {} {0.27925173427 0.517140930849 0.700090211435} Si3 6 1
14 {} {0.522403667009 0.646598973946 0.404303153448} Si4 7 1
1 {} {0.329524333818 0.111688198932 0.663880753888} H1 8 1
1 {} {0.213556595692 0.234201383604 0.483257025686} H2 9 1
1 {} {0.650909609808 0.278752727418 0.317222940756} H3 10 1
1 {} {0.681826701541 0.350280536431 0.550279807262} H4 11 1
1 {} {0.130762924611 0.529019347919 0.699785414921} H5 12 1
1 {} {0.338198981037 0.561909041451 0.829034706076} H6 13 1
1 {} {0.397222858142 0.728827265709 0.392615949788} H7 14 1
1 {} {0.587771106015 0.682643444815 0.274879547503} H8 15 1
1 {} {0.605127310689 0.694907804168 0.519127549025} H10 16 1
8 {} {0.341414996495 0.607072474031 0.576848556493} O 17 1
1 {} {0.303813427037 0.688771389386 0.542050626853} 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