./iterations/neb0_image09_iter203.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 {} {0.472070047407 0.215919002308 0.493902229632} O1 1 1
14 {} {0.333368945306 0.215174787631 0.58197992002} Si1 2 1
14 {} {0.605774298755 0.297501296534 0.444687432889} Si2 3 1
8 {} {0.568880696413 0.451943458077 0.402103959949} O2 4 1
8 {} {0.323089031343 0.34936623097 0.676958862128} O3 5 1
14 {} {0.299507586161 0.512103453985 0.673110687613} Si3 6 1
14 {} {0.511013265719 0.597321296255 0.45252930333} Si4 7 1
1 {} {0.335174543615 0.0968585963739 0.671584013175} H1 8 1
1 {} {0.218331501416 0.212310378633 0.487250606745} H2 9 1
1 {} {0.659376713672 0.229131611269 0.324405185739} H3 10 1
1 {} {0.704819286245 0.301111550342 0.556010244156} H4 11 1
1 {} {0.154378704963 0.541675753875 0.659288142747} H5 12 1
1 {} {0.356494290825 0.568419487631 0.798437042264} H6 13 1
1 {} {0.317999820906 0.907728740773 0.428096590471} H7 14 1
1 {} {0.474100168158 0.674764674839 0.33152796675} H8 15 1
1 {} {0.614963815802 0.666245238672 0.53443953008} H10 16 1
8 {} {0.375127079491 0.578288725617 0.543108968209} O 17 1
1 {} {0.285616309239 0.85665366233 0.471636991012} 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