iterations/neb0_image07_iter10.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.469772093089 0.224130288616 0.487911306457} O1 1 1
14 {} {0.333140418786 0.223403806079 0.57639540808} Si1 2 1
14 {} {0.603855017229 0.305692289671 0.441108580016} Si2 3 1
8 {} {0.561941766339 0.456569001701 0.387644474305} O2 4 1
8 {} {0.329588233152 0.361441966389 0.673912289291} O3 5 1
14 {} {0.287226731045 0.517722565967 0.685118936157} Si3 6 1
14 {} {0.502506025991 0.607367194378 0.437374709994} Si4 7 1
1 {} {0.335113538611 0.111031257381 0.670736959831} H1 8 1
1 {} {0.216419673332 0.224337468528 0.485764547183} H2 9 1
1 {} {0.66403709801 0.233331801464 0.32666101863} H3 10 1
1 {} {0.698320793703 0.320102669998 0.555338568126} H4 11 1
1 {} {0.133272780876 0.518037177793 0.691083265894} H5 12 1
1 {} {0.344483417932 0.559445471527 0.821047163807} H6 13 1
1 {} {0.335713742518 0.826023623096 0.414674646672} H7 14 1
1 {} {0.526131222254 0.686414667897 0.299596157188} H8 15 1
1 {} {0.596585174595 0.674907634768 0.529040078724} H10 16 1
8 {} {0.350296450651 0.608630088961 0.554748231883} O 17 1
1 {} {0.321681963499 0.813928983311 0.492901662979} 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
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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