iterations/neb0_image09_iter170.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 {} {0.471881564719 0.216950436589 0.493942958772} O1 1 1
14 {} {0.333974460949 0.215506621836 0.582601325297} Si1 2 1
14 {} {0.605679164946 0.298712406569 0.444498624775} Si2 3 1
8 {} {0.56724313766 0.452249551885 0.400571119116} O2 4 1
8 {} {0.323293090504 0.349616416845 0.678314630801} O3 5 1
14 {} {0.299239228175 0.512176907641 0.672677141797} Si3 6 1
14 {} {0.51008049181 0.597810767129 0.451759356066} Si4 7 1
1 {} {0.33587404996 0.0967991846487 0.67190110143} H1 8 1
1 {} {0.218351273578 0.212994043481 0.488552846455} H2 9 1
1 {} {0.659431512725 0.229230329037 0.32506670632} H3 10 1
1 {} {0.704402663962 0.302424631795 0.556230480138} H4 11 1
1 {} {0.153775043707 0.540442625935 0.65873504447} H5 12 1
1 {} {0.355140788546 0.568530437749 0.798656508834} H6 13 1
1 {} {0.319351595144 0.902393855852 0.424435661449} H7 14 1
1 {} {0.473823475683 0.67726628363 0.331769497491} H8 15 1
1 {} {0.614639426551 0.665094427364 0.533831059848} H10 16 1
8 {} {0.37401382066 0.578507895585 0.542618390095} O 17 1
1 {} {0.289891319372 0.855811094321 0.474895280652} 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