./iterations/neb0_image01_iter300.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.460521120582 0.259132084071 0.480779856405} O1 1 1
14 {} {0.32743885679 0.245908243602 0.575426217998} Si1 2 1
14 {} {0.59223040348 0.340100556569 0.427789626444} Si2 3 1
8 {} {0.54955711514 0.480235360641 0.353957536998} O2 4 1
8 {} {0.323023389389 0.365184156967 0.68832571268} O3 5 1
14 {} {0.255358216105 0.509291651385 0.729005723294} Si3 6 1
14 {} {0.54066189323 0.64436355407 0.359202877164} Si4 7 1
1 {} {0.334945403839 0.115682575824 0.646024987338} H1 8 1
1 {} {0.207107834162 0.254468660335 0.488829933168} H2 9 1
1 {} {0.659242056541 0.2534214676 0.328013382047} H3 10 1
1 {} {0.681594650398 0.370905903874 0.542732268219} H4 11 1
1 {} {0.108505362129 0.492153242538 0.738904279085} H5 12 1
1 {} {0.317534022115 0.551956968454 0.856910953224} H6 13 1
1 {} {0.411312096624 0.689558655546 0.301421461462} H7 14 1
1 {} {0.653657873245 0.703741562208 0.282024937502} H8 15 1
1 {} {0.54993691181 0.691775630471 0.501224379269} H10 16 1
8 {} {0.278400062404 0.625355178977 0.613160265283} O 17 1
1 {} {0.359058672898 0.679282079941 0.617323470821} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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