./iterations/neb0_image04_iter187.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.466089181099 0.252781147398 0.488423962935} O1 1 1
14 {} {0.326360673554 0.229712454709 0.570506555165} Si1 2 1
14 {} {0.592401259988 0.346065200179 0.443019338355} Si2 3 1
8 {} {0.542825984948 0.499129102289 0.415243741047} O2 4 1
8 {} {0.294428702052 0.350332061766 0.676509807594} O3 5 1
14 {} {0.254579501925 0.507390418651 0.704877972106} Si3 6 1
14 {} {0.56172708285 0.662068232079 0.398775929479} Si4 7 1
1 {} {0.339659042231 0.105498539613 0.651044319565} H1 8 1
1 {} {0.215243617317 0.219157733671 0.471477376824} H2 9 1
1 {} {0.647968246599 0.290806242432 0.316556958552} H3 10 1
1 {} {0.69239318329 0.344875727712 0.553793036262} H4 11 1
1 {} {0.111451941128 0.517184723582 0.742555608876} H5 12 1
1 {} {0.340681820403 0.555667417784 0.815856765808} H6 13 1
1 {} {0.432064333543 0.732809693801 0.419926943648} H7 14 1
1 {} {0.609145827767 0.691423896654 0.26000628777} H8 15 1
1 {} {0.660493076224 0.711706389404 0.499837927901} H10 16 1
8 {} {0.286690081411 0.589557441758 0.565906811609} O 17 1
1 {} {0.235882479658 0.666351438315 0.536738748254} 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