./iterations/neb0_image06_iter295.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.462687740198 0.275203515873 0.489384816099} O1 1 1
14 {} {0.319090003709 0.22994140843 0.554521743931} Si1 2 1
14 {} {0.607834545036 0.351918637537 0.478242672532} Si2 3 1
8 {} {0.592179792244 0.497779896841 0.55135868783} O2 4 1
8 {} {0.233263396694 0.351829082575 0.62808112585} O3 5 1
14 {} {0.266614563535 0.508374691257 0.664486498807} Si3 6 1
14 {} {0.497020444311 0.609737229439 0.473496696888} Si4 7 1
1 {} {0.344846189984 0.134367113984 0.663934404358} H1 8 1
1 {} {0.240141491844 0.17224960333 0.442834568452} H2 9 1
1 {} {0.634449940976 0.380425356868 0.333481788778} H3 10 1
1 {} {0.71582558243 0.274694821445 0.544853905224} H4 11 1
1 {} {0.142057677391 0.575164498338 0.717760967273} H5 12 1
1 {} {0.376589296278 0.525729507883 0.76206690945} H6 13 1
1 {} {0.415667960642 0.769052831617 0.463650505303} H7 14 1
1 {} {0.474701092258 0.589950110576 0.330123506922} H8 15 1
1 {} {0.601377327089 0.720673986747 0.469517281472} H10 16 1
8 {} {0.334486555453 0.575081116993 0.529808784279} O 17 1
1 {} {0.351252568491 0.730344883042 0.433453606438} 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