iterations/neb0_image07_iter163.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 {} {0.470340972585 0.2412111211 0.492298260633} O1 1 1
14 {} {0.332608543106 0.222507478368 0.578089841081} Si1 2 1
14 {} {0.616434995247 0.305138709578 0.45157934778} Si2 3 1
8 {} {0.598617220826 0.466698213161 0.41838117107} O2 4 1
8 {} {0.305967641595 0.348332286625 0.682071182023} O3 5 1
14 {} {0.290784729095 0.510312929991 0.656988839873} Si3 6 1
14 {} {0.496142990522 0.593955828206 0.439060008169} Si4 7 1
1 {} {0.342306032336 0.100328398057 0.6615276327} H1 8 1
1 {} {0.22171307667 0.214411050459 0.47897198875} H2 9 1
1 {} {0.664305064247 0.236008511471 0.329087642441} H3 10 1
1 {} {0.712943732855 0.282238273337 0.564016834957} H4 11 1
1 {} {0.147080404112 0.548298961579 0.658299138387} H5 12 1
1 {} {0.369634236677 0.585864034068 0.758690904046} H6 13 1
1 {} {0.348490047701 0.892724704324 0.491289422512} H7 14 1
1 {} {0.454679873076 0.654152167484 0.309494059715} H8 15 1
1 {} {0.565838264197 0.691168749762 0.527107284661} H10 16 1
8 {} {0.354006718364 0.545476726037 0.50798319017} O 17 1
1 {} {0.318191445606 0.833689675337 0.526121088681} 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
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
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