./iterations/neb0_image06_iter280.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 {} {0.469436724675 0.252229913055 0.488145473371} O1 1 1
14 {} {0.323710122551 0.224529128441 0.558970417825} Si1 2 1
14 {} {0.608578802192 0.339444225613 0.473006192964} Si2 3 1
8 {} {0.58606721462 0.491448429805 0.533362410715} O2 4 1
8 {} {0.252044770246 0.353620802495 0.63193442811} O3 5 1
14 {} {0.273676242691 0.514226543226 0.657705183552} Si3 6 1
14 {} {0.494133099671 0.611103224747 0.46331375024} Si4 7 1
1 {} {0.341717583857 0.123902652194 0.666226517772} H1 8 1
1 {} {0.238190755502 0.174522224451 0.448382177534} H2 9 1
1 {} {0.63834698348 0.35285923723 0.327111877789} H3 10 1
1 {} {0.717798952582 0.275194928449 0.549604164893} H4 11 1
1 {} {0.145880346778 0.567897595897 0.713521255927} H5 12 1
1 {} {0.380374013241 0.553886069201 0.753279139322} H6 13 1
1 {} {0.403804353015 0.785964405196 0.49345620406} H7 14 1
1 {} {0.472659019049 0.609004800079 0.31882563992} H8 15 1
1 {} {0.595797426125 0.724159472342 0.473393392885} H10 16 1
8 {} {0.329261200478 0.573017189368 0.513517114484} O 17 1
1 {} {0.338608469458 0.745507338305 0.46730301488} 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