./iterations/neb0_image06_iter293.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 {} {0.464807397831 0.269841663573 0.488326703842} O1 1 1
14 {} {0.320328792434 0.229173020377 0.554374292326} Si1 2 1
14 {} {0.607874160654 0.349117408093 0.477157493029} Si2 3 1
8 {} {0.591434717498 0.496906540926 0.548785850121} O2 4 1
8 {} {0.236259170689 0.35237658293 0.629229631212} O3 5 1
14 {} {0.267550653316 0.509970993399 0.662956214832} Si3 6 1
14 {} {0.496053745214 0.610333216311 0.472971217981} Si4 7 1
1 {} {0.344080999993 0.1332061677 0.664306791725} H1 8 1
1 {} {0.239806078003 0.17193383712 0.443636887408} H2 9 1
1 {} {0.634509106095 0.375404384643 0.333095482216} H3 10 1
1 {} {0.716844296719 0.275023162795 0.54569618973} H4 11 1
1 {} {0.143463450024 0.574416039871 0.71674932412} H5 12 1
1 {} {0.377504319276 0.531687765942 0.758910703211} H6 13 1
1 {} {0.414368872071 0.770492935077 0.470842072095} H7 14 1
1 {} {0.472952050801 0.594236260795 0.328733075891} H8 15 1
1 {} {0.600160720483 0.721239194071 0.469054546055} H10 16 1
8 {} {0.333416249596 0.573568192364 0.526207572248} O 17 1
1 {} {0.348671368555 0.733590902717 0.440024396832} 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