./iterations/neb0_image05_iter261.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.470827797558 0.259595588642 0.489713375806} O1 1 1
14 {} {0.324580811571 0.231473540334 0.558652209413} Si1 2 1
14 {} {0.609082656826 0.346212584566 0.471738642262} Si2 3 1
8 {} {0.587867669145 0.502580207687 0.518043737531} O2 4 1
8 {} {0.259837128228 0.365749357631 0.62378556254} O3 5 1
14 {} {0.235905235825 0.525318278816 0.658192574735} Si3 6 1
14 {} {0.575261494307 0.655246438464 0.45627716121} Si4 7 1
1 {} {0.340140927963 0.130631377248 0.667830972708} H1 8 1
1 {} {0.237174601486 0.181604155744 0.44865650565} H2 9 1
1 {} {0.647694757782 0.340855820415 0.328364901259} H3 10 1
1 {} {0.714816426418 0.28848974898 0.557996122057} H4 11 1
1 {} {0.135657318006 0.534165395125 0.766184099463} H5 12 1
1 {} {0.364985632424 0.587595361065 0.699369770247} H6 13 1
1 {} {0.518871779083 0.748658843249 0.55783573623} H7 14 1
1 {} {0.482557304902 0.652018760619 0.339668451656} H8 15 1
1 {} {0.708892983028 0.706409893104 0.414646784359} H10 16 1
8 {} {0.171438104797 0.601898399726 0.527059085208} O 17 1
1 {} {0.224493412353 0.614014343245 0.447042499475} 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