iterations/neb0_image05_iter119.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.471479404403 0.227800427649 0.488749549475} O1 1 1
14 {} {0.330753018408 0.224355537092 0.571623753617} Si1 2 1
14 {} {0.593996172159 0.332999889933 0.44978089647} Si2 3 1
8 {} {0.534990952819 0.483857438341 0.432308401271} O2 4 1
8 {} {0.322005673762 0.358235240989 0.669181389804} O3 5 1
14 {} {0.284224791975 0.515707707777 0.677122058424} Si3 6 1
14 {} {0.509322381486 0.651742200674 0.428300373794} Si4 7 1
1 {} {0.329674232249 0.104079601898 0.66029867437} H1 8 1
1 {} {0.212224982263 0.224291000365 0.478379147581} H2 9 1
1 {} {0.649687534657 0.277254264078 0.323903183129} H3 10 1
1 {} {0.696292142719 0.327754079289 0.557627008332} H4 11 1
1 {} {0.137489965008 0.533201357827 0.690012808354} H5 12 1
1 {} {0.36046570108 0.577922956089 0.78765688628} H6 13 1
1 {} {0.416194858147 0.77568771744 0.445345757337} H7 14 1
1 {} {0.522353893083 0.674512120546 0.280085639335} H8 15 1
1 {} {0.614436283413 0.697603910422 0.52692951438} H10 16 1
8 {} {0.32659955507 0.595706537242 0.533949356503} O 17 1
1 {} {0.297894526075 0.689805929584 0.52980360673} 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