./iterations/neb0_image05_iter272.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 {} {0.470617616277 0.268924075507 0.491531806138} O1 1 1
14 {} {0.323270137677 0.235090325438 0.557775193601} Si1 2 1
14 {} {0.613228259637 0.348359185165 0.474840617942} Si2 3 1
8 {} {0.604635919876 0.504883538215 0.526983101718} O2 4 1
8 {} {0.249676194209 0.364994067881 0.621586928457} O3 5 1
14 {} {0.235398485216 0.525811802195 0.652937546724} Si3 6 1
14 {} {0.578830557962 0.656178541499 0.463307026637} Si4 7 1
1 {} {0.342093557364 0.138571538661 0.668197341971} H1 8 1
1 {} {0.243173799507 0.178189381884 0.44683671682} H2 9 1
1 {} {0.646336517008 0.347529864103 0.328605887341} H3 10 1
1 {} {0.715469502873 0.278949359029 0.558181640309} H4 11 1
1 {} {0.131744964595 0.544326417972 0.756781212414} H5 12 1
1 {} {0.365610460039 0.577505180164 0.70181594994} H6 13 1
1 {} {0.53877703178 0.750326996301 0.571182191722} H7 14 1
1 {} {0.472194434412 0.648333791627 0.357790672533} H8 15 1
1 {} {0.704575307984 0.703043222625 0.397301908046} H10 16 1
8 {} {0.168494454921 0.602973087665 0.522700775706} O 17 1
1 {} {0.205958856045 0.598527757943 0.432701688164} 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