./iterations/neb0_image08_iter298.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.474119355017 0.211013763667 0.494203215473} O1 1 1
14 {} {0.334761001927 0.213942992265 0.580586184105} Si1 2 1
14 {} {0.610688238006 0.293810058004 0.453021222333} Si2 3 1
8 {} {0.577522305728 0.452314276576 0.431598594203} O2 4 1
8 {} {0.320109613545 0.356320737649 0.661413367362} O3 5 1
14 {} {0.295532906091 0.518103900465 0.656276331808} Si3 6 1
14 {} {0.502998577146 0.598004585115 0.442284906344} Si4 7 1
1 {} {0.337061086679 0.105378289772 0.682309294408} H1 8 1
1 {} {0.222461520549 0.198218902317 0.484106744764} H2 9 1
1 {} {0.662798204253 0.239460033429 0.324218494976} H3 10 1
1 {} {0.709409886556 0.279635939575 0.564130204576} H4 11 1
1 {} {0.149685077568 0.545916594564 0.659917903245} H5 12 1
1 {} {0.366447698511 0.578421556527 0.772275423049} H6 13 1
1 {} {0.320188649024 0.908903918151 0.467148948374} H7 14 1
1 {} {0.479263389771 0.649211436332 0.304717761382} H8 15 1
1 {} {0.590272187629 0.688886271619 0.521959515917} H10 16 1
8 {} {0.3573961529 0.580475588312 0.516187655408} O 17 1
1 {} {0.299370284861 0.854498931549 0.514702041417} 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
12 5 0 0
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
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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