iterations/neb0_image06_iter183.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 {} {0.476163725369 0.224140624955 0.48644402395} O1 1 1
14 {} {0.33190513583 0.219796112914 0.56591384046} Si1 2 1
14 {} {0.607709987939 0.31660212816 0.454457015117} Si2 3 1
8 {} {0.570579281796 0.474482293469 0.45291902171} O2 4 1
8 {} {0.305365668573 0.354597687894 0.656892329583} O3 5 1
14 {} {0.286008787224 0.517120331163 0.656756462483} Si3 6 1
14 {} {0.484067084221 0.612283711774 0.446309276735} Si4 7 1
1 {} {0.338182883029 0.105969303661 0.660753245096} H1 8 1
1 {} {0.223388497153 0.204613857087 0.464132501555} H2 9 1
1 {} {0.660572597276 0.28275340579 0.320880278569} H3 10 1
1 {} {0.708603447475 0.294447955962 0.56047130375} H4 11 1
1 {} {0.144999979666 0.544835850861 0.694492348094} H5 12 1
1 {} {0.376491829816 0.581883488669 0.755314401196} H6 13 1
1 {} {0.392246698988 0.816960475371 0.520833239186} H7 14 1
1 {} {0.469510952003 0.658259458221 0.305279213962} H8 15 1
1 {} {0.580645516629 0.704778474861 0.514244515035} H10 16 1
8 {} {0.329158062946 0.575903560695 0.507257624547} O 17 1
1 {} {0.324485801004 0.783089109833 0.507707421672} 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