./iterations/neb0_image08_iter112.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471240156183 0.220555440169 0.489648090693} O1 1 1
14 {} {0.332364901047 0.220671166441 0.57729179164} Si1 2 1
14 {} {0.603799009513 0.306576723736 0.445055407445} Si2 3 1
8 {} {0.563421512706 0.459520102817 0.402334697596} O2 4 1
8 {} {0.327052864774 0.351205029184 0.677742287386} O3 5 1
14 {} {0.299571358014 0.513235424391 0.675759101151} Si3 6 1
14 {} {0.50621686386 0.604296147119 0.453634104213} Si4 7 1
1 {} {0.328849844624 0.0986921137389 0.66178292464} H1 8 1
1 {} {0.217226171473 0.227449191978 0.483239495404} H2 9 1
1 {} {0.662952657865 0.241694983105 0.325754506907} H3 10 1
1 {} {0.698631839537 0.313787175859 0.559488079864} H4 11 1
1 {} {0.15349898815 0.539086830391 0.665825676767} H5 12 1
1 {} {0.356619187289 0.569618937404 0.800947647904} H6 13 1
1 {} {0.332697860024 0.853794510674 0.421388086491} H7 14 1
1 {} {0.473693058825 0.681589913854 0.331754785394} H8 15 1
1 {} {0.608895696416 0.673456390394 0.53611843711} H10 16 1
8 {} {0.371417811406 0.581292129701 0.544904501915} O 17 1
1 {} {0.301936377794 0.815995769986 0.478388324741} 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
12 5 0 0
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
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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