./iterations/neb0_image05_iter189.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 {} {0.473274343386 0.239692560802 0.487222097404} O1 1 1
14 {} {0.327800691311 0.225771129289 0.564074095338} Si1 2 1
14 {} {0.599411576446 0.342625246054 0.466112240106} Si2 3 1
8 {} {0.549741052409 0.497411318417 0.493268575174} O2 4 1
8 {} {0.286732205177 0.363157499282 0.6430174229} O3 5 1
14 {} {0.249803035543 0.521646928079 0.664583591976} Si3 6 1
14 {} {0.558429924939 0.652636333118 0.43895220651} Si4 7 1
1 {} {0.339420268769 0.114276931218 0.663702362138} H1 8 1
1 {} {0.224428926383 0.198626875923 0.459402335043} H2 9 1
1 {} {0.644966268045 0.333911727401 0.323839937335} H3 10 1
1 {} {0.707702552819 0.312210815167 0.564707533822} H4 11 1
1 {} {0.134141793818 0.522726043279 0.757618912031} H5 12 1
1 {} {0.369090095303 0.595947615003 0.715891738327} H6 13 1
1 {} {0.465238608474 0.724343800926 0.53095737917} H7 14 1
1 {} {0.51636976984 0.668024752468 0.296993218478} H8 15 1
1 {} {0.698822070248 0.704889558902 0.449199132628} H10 16 1
8 {} {0.202128743115 0.592295557847 0.521354338246} O 17 1
1 {} {0.262584085144 0.662323266924 0.490161027619} 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