./iterations/neb0_image09_iter80.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 {} {0.472479485136 0.213420418947 0.494858941269} O1 1 1
14 {} {0.335964250487 0.21649028565 0.586501926712} Si1 2 1
14 {} {0.603126415717 0.299324010851 0.444971352112} Si2 3 1
8 {} {0.559726653991 0.451880220741 0.401610372032} O2 4 1
8 {} {0.328498583819 0.354695981997 0.675503452203} O3 5 1
14 {} {0.296752010723 0.516105295593 0.669379078883} Si3 6 1
14 {} {0.50690908944 0.599328132322 0.450941120833} Si4 7 1
1 {} {0.33977477721 0.102050514 0.681052668219} H1 8 1
1 {} {0.218372126852 0.209284615169 0.495344441087} H2 9 1
1 {} {0.659064201533 0.232504770396 0.324947838137} H3 10 1
1 {} {0.701707257104 0.305718454489 0.556636303197} H4 11 1
1 {} {0.15043748745 0.538066142664 0.655879582376} H5 12 1
1 {} {0.351298271221 0.576047958432 0.793985449093} H6 13 1
1 {} {0.323563365295 0.878586728126 0.413435934862} H7 14 1
1 {} {0.475597519402 0.678739491758 0.329833754658} H8 15 1
1 {} {0.611439733311 0.663638581748 0.535765080553} H10 16 1
8 {} {0.368554832285 0.584752823827 0.538111901215} O 17 1
1 {} {0.306820105567 0.851883509695 0.482298776261} 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