./iterations/neb0_image03_iter193.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.459009067267 0.262946261116 0.492951368396} O1 1 1
14 {} {0.324114932782 0.236834038481 0.582389676607} Si1 2 1
14 {} {0.583006263265 0.350069245328 0.43125376176} Si2 3 1
8 {} {0.530533250343 0.493429436609 0.371411434818} O2 4 1
8 {} {0.307414093784 0.350102896578 0.698926591749} O3 5 1
14 {} {0.260669383909 0.504109434606 0.733249685669} Si3 6 1
14 {} {0.559821106064 0.656091511392 0.363463311839} Si4 7 1
1 {} {0.338987247948 0.105340479375 0.648718823996} H1 8 1
1 {} {0.206450940263 0.239647210482 0.491878747061} H2 9 1
1 {} {0.64045310951 0.269758634922 0.319285767774} H3 10 1
1 {} {0.68385557477 0.375192641103 0.53939101211} H4 11 1
1 {} {0.112325429381 0.514032422174 0.730961389881} H5 12 1
1 {} {0.31820725856 0.536588760153 0.865442836901} H6 13 1
1 {} {0.433180812915 0.725747397803 0.326039265274} H7 14 1
1 {} {0.661461909392 0.681614917333 0.256648651875} H8 15 1
1 {} {0.609000829186 0.707851334529 0.494443922236} H10 16 1
8 {} {0.322633286868 0.61065169624 0.622688186055} O 17 1
1 {} {0.258961711926 0.652509738418 0.561913343544} 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