./iterations/neb0_image09_iter155.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 {} {0.471752132774 0.217032082272 0.494363593689} O1 1 1
14 {} {0.333882291808 0.21551139657 0.583243621661} Si1 2 1
14 {} {0.605072192368 0.298967109933 0.444468960429} Si2 3 1
8 {} {0.566611544588 0.452648967903 0.400222773569} O2 4 1
8 {} {0.324368211628 0.349976394622 0.677816471661} O3 5 1
14 {} {0.299024253128 0.512538481301 0.67256708256} Si3 6 1
14 {} {0.5098144495 0.598228259471 0.451299537835} Si4 7 1
1 {} {0.336312081216 0.0967057986954 0.672064254944} H1 8 1
1 {} {0.218553100364 0.212911558384 0.489374498753} H2 9 1
1 {} {0.659600180143 0.229099194078 0.32529888765} H3 10 1
1 {} {0.704067737268 0.303046516015 0.556234963679} H4 11 1
1 {} {0.153772217243 0.540697570367 0.657373651755} H5 12 1
1 {} {0.355074374088 0.569432228138 0.798210677002} H6 13 1
1 {} {0.320110627243 0.899336259585 0.422592284066} H7 14 1
1 {} {0.47289895793 0.677893204298 0.332039468168} H8 15 1
1 {} {0.614076971918 0.664550780715 0.534447241561} H10 16 1
8 {} {0.372981059185 0.578997914535 0.542975957546} O 17 1
1 {} {0.29211373508 0.854944207861 0.476463848071} 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