iterations/neb0_image04_iter203.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.46527614437 0.254285671223 0.488428752942} O1 1 1
14 {} {0.325602216881 0.229201167417 0.570795735109} Si1 2 1
14 {} {0.592382319295 0.347901664154 0.444268334199} Si2 3 1
8 {} {0.545590002222 0.502022397466 0.417909475784} O2 4 1
8 {} {0.292723904304 0.349432507208 0.676991790711} O3 5 1
14 {} {0.252024418714 0.506357830481 0.704152336747} Si3 6 1
14 {} {0.566087025218 0.663787531831 0.399444476228} Si4 7 1
1 {} {0.340751744338 0.103625107543 0.649390564599} H1 8 1
1 {} {0.216033766622 0.218178303826 0.47075007039} H2 9 1
1 {} {0.64731474049 0.290714811176 0.318101364648} H3 10 1
1 {} {0.694793553093 0.345362409365 0.553227135684} H4 11 1
1 {} {0.108795253831 0.517085431612 0.744552476029} H5 12 1
1 {} {0.342515098745 0.556755196544 0.810772845635} H6 13 1
1 {} {0.436870542167 0.732771454335 0.422067579715} H7 14 1
1 {} {0.610844082147 0.690822933923 0.26028593025} H8 15 1
1 {} {0.668646651686 0.712638123463 0.495884627575} H10 16 1
8 {} {0.278467430821 0.586724722011 0.562742229013} O 17 1
1 {} {0.225367125589 0.664850603029 0.541292399902} 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