iterations/neb0_image02_iter50.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 {} {0.467917424488 0.236319213153 0.475131648592} O1 1 1
14 {} {0.329197387787 0.244858622354 0.562959698749} Si1 2 1
14 {} {0.595622998076 0.330601521535 0.432216571989} Si2 3 1
8 {} {0.544259492673 0.474944989781 0.374086522377} O2 4 1
8 {} {0.334079440693 0.376928620437 0.660379215497} O3 5 1
14 {} {0.267550883518 0.516629057717 0.715607621533} Si3 6 1
14 {} {0.529126507807 0.638701914759 0.380200487742} Si4 7 1
1 {} {0.322830555304 0.122884739988 0.647864761972} H1 8 1
1 {} {0.213219230997 0.252736343693 0.469540830898} H2 9 1
1 {} {0.667053605248 0.259003834812 0.323497737642} H3 10 1
1 {} {0.683759187258 0.353451368904 0.55067977311} H4 11 1
1 {} {0.121584478737 0.498505751041 0.737363702963} H5 12 1
1 {} {0.340857400013 0.552605887769 0.839852067328} H6 13 1
1 {} {0.386660435103 0.676703923866 0.358139976328} H7 14 1
1 {} {0.613243886593 0.699121730488 0.273711137305} H8 15 1
1 {} {0.573791309913 0.690061161304 0.513147819603} H10 16 1
8 {} {0.281790691687 0.636183394187 0.601367940085} O 17 1
1 {} {0.337541230998 0.712275879425 0.615310475563} 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