iterations/neb0_image09_iter162.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 {} {0.472079799061 0.217237870934 0.493907927463} O1 1 1
14 {} {0.333787034578 0.215662591879 0.583099482029} Si1 2 1
14 {} {0.605381262699 0.298557623947 0.444657012353} Si2 3 1
8 {} {0.566856030576 0.45266422361 0.400345034494} O2 4 1
8 {} {0.323757593627 0.349477082824 0.677993867465} O3 5 1
14 {} {0.298932855775 0.512365452095 0.672978591735} Si3 6 1
14 {} {0.509442198986 0.597767095485 0.451925249879} Si4 7 1
1 {} {0.336057566183 0.0967362973045 0.671966933438} H1 8 1
1 {} {0.218469521249 0.213030874713 0.488949529397} H2 9 1
1 {} {0.659490749169 0.229125606799 0.325196485168} H3 10 1
1 {} {0.704294354324 0.30271796997 0.556283167617} H4 11 1
1 {} {0.1537708985 0.540509523396 0.658165927163} H5 12 1
1 {} {0.355048594048 0.568906876464 0.798530944046} H6 13 1
1 {} {0.320008565268 0.901301225949 0.423099011918} H7 14 1
1 {} {0.473400972934 0.677663443656 0.33164555529} H8 15 1
1 {} {0.61444437168 0.664980313382 0.534155668784} H10 16 1
8 {} {0.374206959222 0.57895059912 0.542007087087} O 17 1
1 {} {0.29065678307 0.854863245302 0.476150277875} 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