./iterations/neb0_image05_iter163.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.474870517341 0.233540412004 0.486655738627} O1 1 1
14 {} {0.330991674125 0.227163524194 0.565299215121} Si1 2 1
14 {} {0.595062956941 0.341338518465 0.460861756697} Si2 3 1
8 {} {0.537192432651 0.494541051043 0.479565928709} O2 4 1
8 {} {0.30072788027 0.361677520902 0.651593481925} O3 5 1
14 {} {0.257938259403 0.520174171177 0.665233272351} Si3 6 1
14 {} {0.548585758927 0.65316059728 0.434975299125} Si4 7 1
1 {} {0.337175999305 0.116015951951 0.662390249098} H1 8 1
1 {} {0.225133157852 0.203902131957 0.462751977242} H2 9 1
1 {} {0.64845988325 0.320123330261 0.322350883104} H3 10 1
1 {} {0.700927218712 0.31502795173 0.561756859604} H4 11 1
1 {} {0.133660212109 0.528325781372 0.744967762382} H5 12 1
1 {} {0.367414706949 0.589144376679 0.737361096712} H6 13 1
1 {} {0.450792792529 0.735021998838 0.512812566643} H7 14 1
1 {} {0.516778033745 0.663479599708 0.292387774833} H8 15 1
1 {} {0.685680924216 0.705908546918 0.472414049807} H10 16 1
8 {} {0.231408813211 0.587291958404 0.514878408633} O 17 1
1 {} {0.267284795205 0.676680506585 0.502801797947} 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