./iterations/neb0_image02_iter111.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.467686852131 0.238407551592 0.479361831244} O1 1 1
14 {} {0.329495962013 0.242750034956 0.56807827627} Si1 2 1
14 {} {0.593501567925 0.333195044415 0.432021240858} Si2 3 1
8 {} {0.53913774238 0.476575436781 0.374231461468} O2 4 1
8 {} {0.329745167632 0.373765712783 0.667058427664} O3 5 1
14 {} {0.263692679485 0.516099278304 0.716149820349} Si3 6 1
14 {} {0.53339816545 0.641095510252 0.376302032582} Si4 7 1
1 {} {0.326017405254 0.119872038708 0.651826841547} H1 8 1
1 {} {0.213181520417 0.248066568677 0.475152900047} H2 9 1
1 {} {0.662233834234 0.261179292715 0.321888527935} H3 10 1
1 {} {0.684291757335 0.35659614078 0.548336344126} H4 11 1
1 {} {0.118310556934 0.496084295726 0.737728527082} H5 12 1
1 {} {0.335853048511 0.557910062699 0.839654498623} H6 13 1
1 {} {0.394380285451 0.687138084777 0.351241395169} H7 14 1
1 {} {0.62349073427 0.694787888487 0.270519241447} H8 15 1
1 {} {0.578895825824 0.692071010451 0.50962224151} H10 16 1
8 {} {0.276783062265 0.631716728879 0.599395931297} O 17 1
1 {} {0.339989941626 0.705207304987 0.61248847106} 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
12 5 0 0
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
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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