./iterations/neb0_image04_iter15.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 {} {0.469472126774 0.229086630355 0.48169380202} O1 1 1
14 {} {0.331265044667 0.234794953701 0.570411926119} Si1 2 1
14 {} {0.601838126421 0.316907040778 0.437403589307} Si2 3 1
8 {} {0.553452201418 0.468266882099 0.382873508582} O2 4 1
8 {} {0.332040405465 0.370533004309 0.664879977435} O3 5 1
14 {} {0.277702664274 0.526728643481 0.699923354077} Si3 6 1
14 {} {0.509794501088 0.635588835308 0.401074686176} Si4 7 1
1 {} {0.328748019683 0.11533241866 0.660232331773} H1 8 1
1 {} {0.214503986035 0.23762312804 0.476713889292} H2 9 1
1 {} {0.667836040048 0.239013777285 0.327495327547} H3 10 1
1 {} {0.693881295723 0.33051620836 0.555239405488} H4 11 1
1 {} {0.126436505242 0.507630162959 0.711879104295} H5 12 1
1 {} {0.343800616777 0.550580080808 0.835255397247} H6 13 1
1 {} {0.368833730158 0.761500488608 0.377309300335} H7 14 1
1 {} {0.567731483916 0.693496878975 0.27814335432} H8 15 1
1 {} {0.582994139677 0.678738175503 0.526088219606} H10 16 1
8 {} {0.32107413924 0.64079478254 0.583128153419} O 17 1
1 {} {0.318681108171 0.735385871279 0.561312676761} 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