iterations/neb0_image02_iter236.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.459446171347 0.261679188618 0.490705680241} O1 1 1
14 {} {0.326787472503 0.239372728365 0.584833943335} Si1 2 1
14 {} {0.583786826889 0.348193472852 0.428433698163} Si2 3 1
8 {} {0.530299834924 0.490861173498 0.366912537564} O2 4 1
8 {} {0.313752540868 0.356706710373 0.699075584906} O3 5 1
14 {} {0.245823706463 0.503908142295 0.730573869886} Si3 6 1
14 {} {0.559090853744 0.652836852373 0.357728968634} Si4 7 1
1 {} {0.343125287081 0.109265958988 0.655668201724} H1 8 1
1 {} {0.206897953848 0.240574126502 0.496061188133} H2 9 1
1 {} {0.642971994186 0.267728711878 0.317950691729} H3 10 1
1 {} {0.683451997297 0.377189992931 0.536181953307} H4 11 1
1 {} {0.0989922688327 0.48810752032 0.746247289849} H5 12 1
1 {} {0.312697856179 0.553911872641 0.854122042845} H6 13 1
1 {} {0.434193156867 0.719518253874 0.312165485637} H7 14 1
1 {} {0.67000987784 0.680919471235 0.262494111058} H8 15 1
1 {} {0.596586343268 0.706292067079 0.492249580871} H10 16 1
8 {} {0.261886642033 0.609812166404 0.604361332124} O 17 1
1 {} {0.340285455591 0.665639656751 0.595291837773} 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