./iterations/neb0_image01_iter90.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.467589197284 0.242091257586 0.47330989977} O1 1 1
14 {} {0.328187055105 0.24937244219 0.56001987142} Si1 2 1
14 {} {0.598290740126 0.331845093813 0.430176654747} Si2 3 1
8 {} {0.551802695202 0.475522928669 0.366606598552} O2 4 1
8 {} {0.331602494806 0.379985038099 0.65938833625} O3 5 1
14 {} {0.26289603705 0.514860188339 0.723501416728} Si3 6 1
14 {} {0.531133395312 0.638395632761 0.373053422987} Si4 7 1
1 {} {0.319885293633 0.126017720601 0.642792880675} H1 8 1
1 {} {0.213395856939 0.259558677257 0.465569951299} H2 9 1
1 {} {0.67124707478 0.256362287229 0.325329073423} H3 10 1
1 {} {0.682632197486 0.356313593587 0.550464657184} H4 11 1
1 {} {0.11863242017 0.489188175923 0.74743514164} H5 12 1
1 {} {0.339151796867 0.54677534152 0.847077346688} H6 13 1
1 {} {0.388849085171 0.670836830651 0.343634940002} H7 14 1
1 {} {0.620606609717 0.703511947181 0.27337903097} H8 15 1
1 {} {0.565176907884 0.690017956324 0.50977068737} H10 16 1
8 {} {0.269207552926 0.644708268777 0.620412930559} O 17 1
1 {} {0.349799730912 0.697154559567 0.619135154684} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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