./iterations/neb0_image05_iter278.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 {} {0.470175147622 0.273130418904 0.492794854557} O1 1 1
14 {} {0.325473173345 0.23539822415 0.557106662689} Si1 2 1
14 {} {0.6146879175 0.34956823699 0.475149227146} Si2 3 1
8 {} {0.607345664556 0.505321274392 0.527907156648} O2 4 1
8 {} {0.248862456682 0.364395124892 0.622679339726} O3 5 1
14 {} {0.233392631467 0.525618961723 0.650618021389} Si3 6 1
14 {} {0.580174758557 0.65500241026 0.464626867848} Si4 7 1
1 {} {0.342669112697 0.139566182435 0.668792161238} H1 8 1
1 {} {0.243488214949 0.178056863182 0.447086396781} H2 9 1
1 {} {0.645893113013 0.349636665185 0.328477648276} H3 10 1
1 {} {0.714183161887 0.277260317844 0.557917899901} H4 11 1
1 {} {0.128928400748 0.549020049918 0.752479373801} H5 12 1
1 {} {0.365438140437 0.573526471053 0.703077186536} H6 13 1
1 {} {0.542642705271 0.749009846764 0.574817005372} H7 14 1
1 {} {0.469274104417 0.647408526266 0.364107895227} H8 15 1
1 {} {0.700845858936 0.702277925575 0.3935715198} H10 16 1
8 {} {0.172135120596 0.606129172342 0.520266501279} O 17 1
1 {} {0.204476380112 0.592191476285 0.429582500651} 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