iterations/neb0_image05_iter151.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 {} {0.474473988088 0.229812751232 0.483330638442} O1 1 1
14 {} {0.330767179009 0.227141871927 0.567202394771} Si1 2 1
14 {} {0.59596628641 0.338162594161 0.456110615747} Si2 3 1
8 {} {0.533519287127 0.49189844118 0.468149077713} O2 4 1
8 {} {0.306694807837 0.362619608256 0.655328088561} O3 5 1
14 {} {0.263539498103 0.52246463306 0.668636999044} Si3 6 1
14 {} {0.541770446337 0.65511536763 0.43693405913} Si4 7 1
1 {} {0.334399814741 0.11143833597 0.662919562448} H1 8 1
1 {} {0.223218368716 0.20701954674 0.465280877208} H2 9 1
1 {} {0.649854636585 0.308700954293 0.319788017381} H3 10 1
1 {} {0.701466082376 0.318548782126 0.562368796721} H4 11 1
1 {} {0.128315555396 0.530328429692 0.733156101409} H5 12 1
1 {} {0.370759985316 0.587251658677 0.752644515268} H6 13 1
1 {} {0.443698104219 0.753806229103 0.497487616461} H7 14 1
1 {} {0.516122545704 0.660537314418 0.285941358409} H8 15 1
1 {} {0.668744152976 0.705155645892 0.489533177615} H10 16 1
8 {} {0.255874877905 0.582493599696 0.514609941977} O 17 1
1 {} {0.270900406465 0.680022154114 0.511636259648} 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