./iterations/neb0_image01_iter296.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 {} {0.460608202123 0.259427042629 0.480877242313} O1 1 1
14 {} {0.327390123887 0.246309056083 0.575423836791} Si1 2 1
14 {} {0.592430820961 0.340060651923 0.427459420598} Si2 3 1
8 {} {0.549913485864 0.479991177918 0.353477844453} O2 4 1
8 {} {0.322487250514 0.365203721046 0.687974540185} O3 5 1
14 {} {0.255072376845 0.509438724322 0.72925924145} Si3 6 1
14 {} {0.540982489253 0.644093395746 0.359110502777} Si4 7 1
1 {} {0.334807677538 0.115977658582 0.645649096136} H1 8 1
1 {} {0.207382650622 0.254906889118 0.488511146204} H2 9 1
1 {} {0.659485827644 0.253461230586 0.327939070541} H3 10 1
1 {} {0.681558588912 0.371190919517 0.542334293533} H4 11 1
1 {} {0.108460821649 0.492161914933 0.739741800667} H5 12 1
1 {} {0.317756053362 0.551896391868 0.856903054551} H6 13 1
1 {} {0.411128767158 0.688389074674 0.301694920495} H7 14 1
1 {} {0.653593870377 0.703898967953 0.282044920637} H8 15 1
1 {} {0.550055682557 0.691322318352 0.501103998224} H10 16 1
8 {} {0.277734410237 0.625883004574 0.613790487395} O 17 1
1 {} {0.359236836201 0.678905410245 0.617762457044} 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