./iterations/neb0_image01_iter169.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.464830168749 0.253503560005 0.47680411143} O1 1 1
14 {} {0.327432903477 0.251283449958 0.566206176623} Si1 2 1
14 {} {0.597963850902 0.335799294581 0.427175674297} Si2 3 1
8 {} {0.556506005661 0.476477551484 0.353531348903} O2 4 1
8 {} {0.325262128632 0.376925945344 0.670889704148} O3 5 1
14 {} {0.256526866296 0.513807051278 0.732483799714} Si3 6 1
14 {} {0.537396962609 0.639698256779 0.363177537981} Si4 7 1
1 {} {0.326074505355 0.124515232244 0.644093003034} H1 8 1
1 {} {0.210757087796 0.259745071428 0.473739936339} H2 9 1
1 {} {0.667144413337 0.251039748398 0.32717517232} H3 10 1
1 {} {0.684173265919 0.366544843531 0.544867879757} H4 11 1
1 {} {0.11074438046 0.493674104236 0.750681997176} H5 12 1
1 {} {0.327626860166 0.540548172924 0.860481804111} H6 13 1
1 {} {0.399325383308 0.675919545442 0.321358215619} H7 14 1
1 {} {0.637637670631 0.707246496697 0.276058079828} H8 15 1
1 {} {0.557963204143 0.685764185595 0.504662542721} H10 16 1
8 {} {0.267382782249 0.641782762038 0.628630844458} O 17 1
1 {} {0.355337515047 0.678242586656 0.609040084119} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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