iterations/neb0_image04_iter6.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.469448280004 0.232537601896 0.481429238081} O1 1 1
14 {} {0.330829486193 0.235009080017 0.5681324261} Si1 2 1
14 {} {0.602986050466 0.313364534216 0.438334208967} Si2 3 1
8 {} {0.561066062341 0.465188116052 0.378598212225} O2 4 1
8 {} {0.33245624501 0.365300662472 0.663878383893} O3 5 1
14 {} {0.273245693363 0.518174487844 0.712095665431} Si3 6 1
14 {} {0.514309340347 0.624734415134 0.401832972014} Si4 7 1
1 {} {0.32768430803 0.117927253641 0.657927536893} H1 8 1
1 {} {0.215382784841 0.240533021472 0.476197593135} H2 9 1
1 {} {0.668567860942 0.239369022893 0.327972279613} H3 10 1
1 {} {0.692958758287 0.332096143667 0.55504510717} H4 11 1
1 {} {0.126823547928 0.504276718321 0.714506355665} H5 12 1
1 {} {0.34392037259 0.547451051384 0.835787383196} H6 13 1
1 {} {0.362956366833 0.767361059157 0.366940093044} H7 14 1
1 {} {0.568781387608 0.695708442992 0.281763132519} H8 15 1
1 {} {0.580477899622 0.680071794791 0.521427799859} H10 16 1
8 {} {0.316105692666 0.645368872958 0.584483023767} O 17 1
1 {} {0.322085998997 0.748045680346 0.564706592276} 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