./iterations/neb0_image05_iter41.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 {} {0.469493918398 0.226923339007 0.483626298154} O1 1 1
14 {} {0.33290460819 0.232194531808 0.571128339901} Si1 2 1
14 {} {0.591204562031 0.327462661416 0.440200557211} Si2 3 1
8 {} {0.530031537736 0.476368949041 0.406726873179} O2 4 1
8 {} {0.334360732423 0.370960917081 0.658762559073} O3 5 1
14 {} {0.284465508623 0.519136803383 0.691553771057} Si3 6 1
14 {} {0.501491977716 0.640346297594 0.427350597612} Si4 7 1
1 {} {0.330845803081 0.118051304679 0.662847541589} H1 8 1
1 {} {0.215735245499 0.23272348036 0.482520465731} H2 9 1
1 {} {0.658438371856 0.256103399082 0.328402155631} H3 10 1
1 {} {0.690171401226 0.333841336783 0.550230336498} H4 11 1
1 {} {0.13458178582 0.529277455847 0.696052032029} H5 12 1
1 {} {0.341741535025 0.566226828907 0.821122222506} H6 13 1
1 {} {0.384494409038 0.763244357585 0.425077684687} H7 14 1
1 {} {0.536385695695 0.684478380331 0.286411780473} H8 15 1
1 {} {0.594457874415 0.686255908971 0.534149120408} H10 16 1
8 {} {0.349172089093 0.610495220944 0.565521617337} O 17 1
1 {} {0.330109068705 0.698426785849 0.49937402391} 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