./iterations/neb0_image01_iter79.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.467861411845 0.241336154916 0.473040444788} O1 1 1
14 {} {0.328352845454 0.249064272145 0.559649809143} Si1 2 1
14 {} {0.598367838004 0.331624013861 0.430238109528} Si2 3 1
8 {} {0.551495294449 0.475423329052 0.367324164426} O2 4 1
8 {} {0.331432800722 0.379772712091 0.659080361275} O3 5 1
14 {} {0.263609098082 0.515236116948 0.722708157802} Si3 6 1
14 {} {0.530525452019 0.638232421522 0.37377355746} Si4 7 1
1 {} {0.319630053373 0.126018687254 0.642582946168} H1 8 1
1 {} {0.213326114941 0.25980041057 0.465765718207} H2 9 1
1 {} {0.671334410496 0.256693965918 0.324723661067} H3 10 1
1 {} {0.68233955988 0.356306256848 0.550939602775} H4 11 1
1 {} {0.119647894885 0.489225366088 0.74680561312} H5 12 1
1 {} {0.339863620379 0.546771549355 0.846621303067} H6 13 1
1 {} {0.388156916288 0.670099085666 0.344668629634} H7 14 1
1 {} {0.619950967061 0.703038446838 0.273780347044} H8 15 1
1 {} {0.56591258704 0.690507337841 0.510005966348} H10 16 1
8 {} {0.26928379544 0.644904268629 0.619474509751} O 17 1
1 {} {0.348995483087 0.698463541137 0.619875096888} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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