iterations/neb0_image09_iter75.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 {} {0.472226325558 0.213157394883 0.494926046709} O1 1 1
14 {} {0.336196247034 0.216260131614 0.586392673433} Si1 2 1
14 {} {0.603162349343 0.299310302231 0.444926600357} Si2 3 1
8 {} {0.55971446749 0.4515227618 0.401950599888} O2 4 1
8 {} {0.328670253061 0.355140927712 0.675090830925} O3 5 1
14 {} {0.296849735958 0.516091710149 0.669125082007} Si3 6 1
14 {} {0.507020037484 0.599344526408 0.450770035114} Si4 7 1
1 {} {0.339923365145 0.102324954816 0.681271791563} H1 8 1
1 {} {0.218470086109 0.209151986785 0.495779938979} H2 9 1
1 {} {0.658960602028 0.232326724475 0.324866499225} H3 10 1
1 {} {0.701735417989 0.306054050962 0.556581858765} H4 11 1
1 {} {0.15034169042 0.538122204257 0.655657252206} H5 12 1
1 {} {0.351305097265 0.576381589559 0.793937768375} H6 13 1
1 {} {0.323490572065 0.878168236134 0.413720734281} H7 14 1
1 {} {0.475751274518 0.678509423541 0.329744135202} H8 15 1
1 {} {0.611090729676 0.663639814037 0.535934041731} H10 16 1
8 {} {0.368059778402 0.584862976047 0.538535166629} O 17 1
1 {} {0.307118135945 0.852148223262 0.481846920843} 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