./iterations/neb0_image02_iter291.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.453280882231 0.268292632843 0.48348600293} O1 1 1
14 {} {0.325308899532 0.242340711497 0.581267382494} Si1 2 1
14 {} {0.584987421734 0.348489939674 0.42781589896} Si2 3 1
8 {} {0.540511520076 0.493070751392 0.365618363775} O2 4 1
8 {} {0.311329731638 0.358769894538 0.694032525445} O3 5 1
14 {} {0.240169650525 0.502885574756 0.734050642751} Si3 6 1
14 {} {0.565158551317 0.656004126961 0.357090070295} Si4 7 1
1 {} {0.347507238434 0.112771536092 0.650618346417} H1 8 1
1 {} {0.20337299309 0.238253686379 0.495524694427} H2 9 1
1 {} {0.644141173248 0.267610902882 0.318899321923} H3 10 1
1 {} {0.681307744985 0.371706130177 0.539060393345} H4 11 1
1 {} {0.0950671731573 0.483324383881 0.756059528877} H5 12 1
1 {} {0.310661785167 0.551458920444 0.855063538459} H6 13 1
1 {} {0.437186947832 0.720462670228 0.31678819658} H7 14 1
1 {} {0.672063005834 0.688055589923 0.257596055383} H8 15 1
1 {} {0.60490741485 0.707644217402 0.492426721356} H10 16 1
8 {} {0.252292592614 0.612471936195 0.61118099249} O 17 1
1 {} {0.340831773282 0.648904676009 0.594478933305} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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