./iterations/neb0_image05_iter106.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.470501920901 0.227627530156 0.491208797377} O1 1 1
14 {} {0.330889333968 0.223275492936 0.573966771336} Si1 2 1
14 {} {0.591665608419 0.33246994825 0.449026421693} Si2 3 1
8 {} {0.532321252076 0.482076441541 0.42361026718} O2 4 1
8 {} {0.324624681022 0.356361598395 0.672306712036} O3 5 1
14 {} {0.286808503039 0.513537919273 0.679189474332} Si3 6 1
14 {} {0.506164036684 0.650768536378 0.428280829974} Si4 7 1
1 {} {0.327875850841 0.102322892195 0.658495431104} H1 8 1
1 {} {0.214293063753 0.22788610772 0.482928106831} H2 9 1
1 {} {0.648624378216 0.278901245581 0.322105840471} H3 10 1
1 {} {0.693983764751 0.328023469293 0.559797522261} H4 11 1
1 {} {0.140274783349 0.53734013264 0.679110410792} H5 12 1
1 {} {0.359705670278 0.576170515049 0.791968812251} H6 13 1
1 {} {0.410960903056 0.77756411575 0.437773855867} H7 14 1
1 {} {0.525237873518 0.675388562314 0.282322068289} H8 15 1
1 {} {0.604937468212 0.698192153367 0.528839268195} H10 16 1
8 {} {0.335453097446 0.595300999044 0.537186543621} O 17 1
1 {} {0.305763892608 0.689310262145 0.532940870605} 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