iterations/neb0_image03_iter137.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 {} {0.463763061513 0.247773722647 0.489234745337} O1 1 1
14 {} {0.327160909155 0.234859672218 0.579021246841} Si1 2 1
14 {} {0.584656712439 0.343987406718 0.432028767154} Si2 3 1
8 {} {0.525374950954 0.487882618965 0.381924741245} O2 4 1
8 {} {0.315696984105 0.354603831765 0.690829906768} O3 5 1
14 {} {0.267294469405 0.50891015092 0.71971980831} Si3 6 1
14 {} {0.546420072412 0.6508342665 0.374975768815} Si4 7 1
1 {} {0.333211206785 0.105462757334 0.652365016651} H1 8 1
1 {} {0.208861329804 0.239758102405 0.48842061426} H2 9 1
1 {} {0.646563149694 0.271259037544 0.317538542034} H3 10 1
1 {} {0.682087251636 0.368764890031 0.541875860271} H4 11 1
1 {} {0.118335141583 0.516856264517 0.724173728036} H5 12 1
1 {} {0.327073146934 0.548123675816 0.849977230679} H6 13 1
1 {} {0.416116316537 0.71300054388 0.342177931118} H7 14 1
1 {} {0.643552083226 0.679400913129 0.265816914416} H8 15 1
1 {} {0.601338404506 0.706140036144 0.500811743017} H10 16 1
8 {} {0.325091682562 0.605446193164 0.597430754573} O 17 1
1 {} {0.277489291137 0.689453934351 0.58273455718} 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