iterations/neb0_image04_iter297.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 {} {0.469935868816 0.260507744062 0.490923311689} O1 1 1
14 {} {0.327289108072 0.232754581869 0.566050752616} Si1 2 1
14 {} {0.603928346512 0.346198701358 0.451327186887} Si2 3 1
8 {} {0.565043141045 0.504886105954 0.443526731204} O2 4 1
8 {} {0.281298895629 0.354575603623 0.665087131665} O3 5 1
14 {} {0.232039273631 0.508127281285 0.694633113185} Si3 6 1
14 {} {0.589905101574 0.663203692676 0.407475037448} Si4 7 1
1 {} {0.343262163785 0.112258438171 0.652709343607} H1 8 1
1 {} {0.225761525952 0.208607083415 0.457623004296} H2 9 1
1 {} {0.651757924649 0.297516966032 0.319251503907} H3 10 1
1 {} {0.705959402672 0.324578800573 0.557027324697} H4 11 1
1 {} {0.110696897661 0.500275449675 0.781619307501} H5 12 1
1 {} {0.341864730749 0.580308098912 0.764931728587} H6 13 1
1 {} {0.475654808796 0.74352825489 0.458313437654} H7 14 1
1 {} {0.601653518643 0.682279671881 0.259483675954} H8 15 1
1 {} {0.715486783918 0.709371859165 0.472968909217} H10 16 1
8 {} {0.196082017854 0.574840645211 0.547173570076} O 17 1
1 {} {0.172466409214 0.668698743878 0.540933298687} 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