iterations/neb0_image09_iter198.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.471853435957 0.215935752063 0.49403512796} O1 1 1
14 {} {0.333445998258 0.215049309227 0.581686875322} Si1 2 1
14 {} {0.605981826338 0.297615294362 0.444597547956} Si2 3 1
8 {} {0.569198352346 0.451781077186 0.402283457354} O2 4 1
8 {} {0.322943945838 0.349512367519 0.676956899454} O3 5 1
14 {} {0.299476713938 0.511963708983 0.673354363777} Si3 6 1
14 {} {0.511185730532 0.597416809478 0.45248668092} Si4 7 1
1 {} {0.335008846178 0.0966826027711 0.671469731521} H1 8 1
1 {} {0.218269403055 0.212388889535 0.486858863524} H2 9 1
1 {} {0.659440209416 0.229224437381 0.324347709071} H3 10 1
1 {} {0.704803376437 0.300850197893 0.555992177486} H4 11 1
1 {} {0.154360679233 0.541731623817 0.659492171888} H5 12 1
1 {} {0.356730889248 0.568263918775 0.798532571932} H6 13 1
1 {} {0.318087100889 0.908762873657 0.428150968507} H7 14 1
1 {} {0.474153952752 0.67455492 0.331584934999} H8 15 1
1 {} {0.615010403906 0.666347513569 0.534344120758} H10 16 1
8 {} {0.375396274242 0.578135920531 0.5431121531} O 17 1
1 {} {0.284738968305 0.856300731418 0.471771309466} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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