iterations/neb0_image02_iter181.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 {} {0.463951640166 0.254045045416 0.490727873587} O1 1 1
14 {} {0.328375704944 0.239541283453 0.582022639486} Si1 2 1
14 {} {0.586124482603 0.344358214125 0.429815252477} Si2 3 1
8 {} {0.52891397863 0.486164921743 0.369794883349} O2 4 1
8 {} {0.318937102638 0.361202746484 0.692234342374} O3 5 1
14 {} {0.250698973016 0.507314030215 0.726402460584} Si3 6 1
14 {} {0.55145234812 0.649249339929 0.361771291265} Si4 7 1
1 {} {0.33798150806 0.110904575673 0.65631997076} H1 8 1
1 {} {0.209246029496 0.24164072109 0.491962946823} H2 9 1
1 {} {0.646606637282 0.266453064489 0.318659206688} H3 10 1
1 {} {0.684205131896 0.373372654906 0.538450868772} H4 11 1
1 {} {0.103677133788 0.491172134992 0.7420559089} H5 12 1
1 {} {0.317812032288 0.556709554676 0.849988698211} H6 13 1
1 {} {0.424246423076 0.714405596553 0.318627485826} H7 14 1
1 {} {0.659883777079 0.681103435221 0.264504923115} H8 15 1
1 {} {0.590184110342 0.702012806832 0.496667666003} H10 16 1
8 {} {0.267341107996 0.614891440948 0.602007163771} O 17 1
1 {} {0.34044798332 0.677976357214 0.599044570165} 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