./iterations/neb0_image04_iter151.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 {} {0.464085095682 0.246401015965 0.486081203781} O1 1 1
14 {} {0.326120456765 0.229633018845 0.573649835311} Si1 2 1
14 {} {0.587670664003 0.343730853458 0.44289419008} Si2 3 1
8 {} {0.53239481577 0.496153920335 0.412111249408} O2 4 1
8 {} {0.305483145444 0.353124489322 0.678628678604} O3 5 1
14 {} {0.261634235804 0.509538366451 0.705369847154} Si3 6 1
14 {} {0.549663849467 0.660660371434 0.400635825124} Si4 7 1
1 {} {0.335606107502 0.104347331117 0.652804762171} H1 8 1
1 {} {0.214496275996 0.22167674432 0.474921081361} H2 9 1
1 {} {0.64680768817 0.28805217017 0.319746799132} H3 10 1
1 {} {0.690881206901 0.348849926569 0.549638116349} H4 11 1
1 {} {0.11374606509 0.522457979541 0.726241129472} H5 12 1
1 {} {0.342743445335 0.554704294824 0.821117958539} H6 13 1
1 {} {0.420072327666 0.733677479166 0.411528722842} H7 14 1
1 {} {0.60491875117 0.690194459183 0.263573166783} H8 15 1
1 {} {0.645115602752 0.710719403056 0.50688007806} H10 16 1
8 {} {0.30881718704 0.592822388083 0.572684196127} O 17 1
1 {} {0.25982913575 0.665773653282 0.532551201433} 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