iterations/neb0_image04_iter45.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 {} {0.468858319646 0.228580460424 0.482233417536} O1 1 1
14 {} {0.332762574279 0.23566999682 0.571218049109} Si1 2 1
14 {} {0.589464234734 0.331275913538 0.438338604858} Si2 3 1
8 {} {0.522352110571 0.475591241073 0.399713817763} O2 4 1
8 {} {0.332994773967 0.371413114166 0.661368366602} O3 5 1
14 {} {0.277117104391 0.519895860041 0.701155811126} Si3 6 1
14 {} {0.52147281944 0.643174846664 0.404609637512} Si4 7 1
1 {} {0.331337520492 0.119746170849 0.664451403673} H1 8 1
1 {} {0.213668424984 0.23302376008 0.481127294365} H2 9 1
1 {} {0.654923136326 0.264675298133 0.325057835755} H3 10 1
1 {} {0.686981980039 0.34204358605 0.548533972215} H4 11 1
1 {} {0.128526634087 0.526193277998 0.703374662341} H5 12 1
1 {} {0.339721891856 0.564260737975 0.82784547586} H6 13 1
1 {} {0.394851001978 0.724427788288 0.40156718178} H7 14 1
1 {} {0.573953829488 0.686999631758 0.272067224179} H8 15 1
1 {} {0.59405368859 0.689633877169 0.525860789691} H10 16 1
8 {} {0.335943279419 0.613398592515 0.576744160798} O 17 1
1 {} {0.311102805118 0.702513814812 0.54579030755} 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