./iterations/neb0_image09_iter263.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.47246848801 0.213512603967 0.494610134778} O1 1 1
14 {} {0.333177113807 0.214761462674 0.581789627041} Si1 2 1
14 {} {0.606678806892 0.294560086181 0.446282658688} Si2 3 1
8 {} {0.570498342597 0.450380991358 0.407786556721} O2 4 1
8 {} {0.322739632997 0.35049425193 0.673828871204} O3 5 1
14 {} {0.300534672521 0.513549449642 0.671795677126} Si3 6 1
14 {} {0.512095220818 0.597018841011 0.452563734527} Si4 7 1
1 {} {0.334212562107 0.0980754674507 0.673413377394} H1 8 1
1 {} {0.219033759959 0.210016310823 0.486284640166} H2 9 1
1 {} {0.658803563544 0.228364540881 0.323892129004} H3 10 1
1 {} {0.706642340484 0.293350940181 0.557002410687} H4 11 1
1 {} {0.15567890913 0.544642475712 0.659906144138} H5 12 1
1 {} {0.359381082581 0.567010169867 0.797479682932} H6 13 1
1 {} {0.314125092607 0.917398622932 0.435277318564} H7 14 1
1 {} {0.476498255625 0.671801432588 0.329346266701} H8 15 1
1 {} {0.615195431873 0.667805456488 0.533629697299} H10 16 1
8 {} {0.374793530465 0.580437241893 0.541331592666} O 17 1
1 {} {0.277529360134 0.859337575298 0.46483713603} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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