./iterations/neb0_image03_iter231.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.455957709175 0.268049187386 0.489952301859} O1 1 1
14 {} {0.323482943217 0.238574622401 0.582542030192} Si1 2 1
14 {} {0.582529958245 0.351719017113 0.429626597898} Si2 3 1
8 {} {0.533696191937 0.495371048033 0.367983369435} O2 4 1
8 {} {0.303714336679 0.351142599801 0.700366437756} O3 5 1
14 {} {0.25559162344 0.504122023125 0.738951768428} Si3 6 1
14 {} {0.565402080891 0.657278442009 0.360778726031} Si4 7 1
1 {} {0.341177990078 0.106316505692 0.649140470266} H1 8 1
1 {} {0.206482944037 0.23971884498 0.48978374505} H2 9 1
1 {} {0.641908414696 0.270499248808 0.320674381699} H3 10 1
1 {} {0.682692560151 0.376545942654 0.536963479215} H4 11 1
1 {} {0.106653390573 0.508701912193 0.739189761962} H5 12 1
1 {} {0.316341497149 0.53635930254 0.870183846534} H6 13 1
1 {} {0.437908076512 0.724160539712 0.326062884107} H7 14 1
1 {} {0.666992825218 0.684208760746 0.254740407837} H8 15 1
1 {} {0.617360812213 0.708824624595 0.490305861904} H10 16 1
8 {} {0.313376989157 0.61782102443 0.633238701146} O 17 1
1 {} {0.258815848249 0.633104419407 0.550572888035} 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