./iterations/neb0_image01_iter255.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 {} {0.462468486064 0.259783091745 0.479787814601} O1 1 1
14 {} {0.327304073928 0.249118628904 0.57176474001} Si1 2 1
14 {} {0.595488407553 0.338818066197 0.426238518775} Si2 3 1
8 {} {0.554834932139 0.478004502047 0.349499332005} O2 4 1
8 {} {0.321564354688 0.36948726943 0.683516814567} O3 5 1
14 {} {0.253929075516 0.510859252275 0.733036991735} Si3 6 1
14 {} {0.540395381531 0.641525541486 0.358582879558} Si4 7 1
1 {} {0.332100579059 0.119513810297 0.644059718609} H1 8 1
1 {} {0.208435200126 0.25809291969 0.482710375743} H2 9 1
1 {} {0.662479541548 0.251448043921 0.326894547347} H3 10 1
1 {} {0.682759280828 0.371864405403 0.542315574304} H4 11 1
1 {} {0.107199118677 0.494223663548 0.746619500887} H5 12 1
1 {} {0.320881248606 0.547288282958 0.860766131107} H6 13 1
1 {} {0.407239361344 0.681564350646 0.305322165969} H7 14 1
1 {} {0.650018542394 0.705748210098 0.280871621188} H8 15 1
1 {} {0.552322198112 0.687111331668 0.501060105137} H10 16 1
8 {} {0.271836515154 0.632367082803 0.621964100128} O 17 1
1 {} {0.358829603437 0.675699247605 0.616046962682} 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