./iterations/neb0_image05_iter267.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 {} {0.470344454004 0.264850316489 0.489959060074} O1 1 1
14 {} {0.323884546661 0.233050703575 0.557840319362} Si1 2 1
14 {} {0.611110580655 0.346077227704 0.473056465705} Si2 3 1
8 {} {0.598091933131 0.502650520557 0.523089677432} O2 4 1
8 {} {0.253138169046 0.366026897753 0.621917570239} O3 5 1
14 {} {0.234997050758 0.525565631834 0.6557878466} Si3 6 1
14 {} {0.577355392585 0.655672156823 0.460661340145} Si4 7 1
1 {} {0.340915056205 0.135728071301 0.668877325991} H1 8 1
1 {} {0.241249692691 0.17930847108 0.446549190507} H2 9 1
1 {} {0.647569384671 0.343894650598 0.328433250866} H3 10 1
1 {} {0.715730166956 0.282827318982 0.55773650016} H4 11 1
1 {} {0.133911521284 0.539981653918 0.761556287627} H5 12 1
1 {} {0.365812765272 0.582453607198 0.702394274831} H6 13 1
1 {} {0.53119102813 0.752986063142 0.563642414367} H7 14 1
1 {} {0.475129841002 0.648873018387 0.35135459558} H8 15 1
1 {} {0.707309944188 0.705697229036 0.405744501361} H10 16 1
8 {} {0.169698473331 0.601957094018 0.524700113189} O 17 1
1 {} {0.212646055614 0.604917491386 0.437757464189} 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