./iterations/neb0_image05_iter211.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 {} {0.473793310555 0.248386804273 0.491775888822} O1 1 1
14 {} {0.327635604088 0.228766140988 0.560413531797} Si1 2 1
14 {} {0.605303216708 0.345162629012 0.469470656123} Si2 3 1
8 {} {0.566719200938 0.502369113366 0.504945760071} O2 4 1
8 {} {0.27515570228 0.364714494623 0.63615030494} O3 5 1
14 {} {0.240376013742 0.522798604084 0.661629191462} Si3 6 1
14 {} {0.56956721315 0.656995608657 0.4461786601} Si4 7 1
1 {} {0.337360463571 0.120005016031 0.659871586277} H1 8 1
1 {} {0.228027672987 0.185418304908 0.457314243623} H2 9 1
1 {} {0.645982811161 0.336955401689 0.326455406805} H3 10 1
1 {} {0.711445200452 0.299731696237 0.560984159105} H4 11 1
1 {} {0.135520133067 0.523966832566 0.768656658076} H5 12 1
1 {} {0.365077793601 0.594575035986 0.693353194144} H6 13 1
1 {} {0.49090301289 0.740802118733 0.545327001776} H7 14 1
1 {} {0.500127713508 0.65821804784 0.313153531378} H8 15 1
1 {} {0.707796792186 0.707018494138 0.433539615382} H10 16 1
8 {} {0.178770508537 0.600525811299 0.527772157954} O 17 1
1 {} {0.25052363769 0.636107865879 0.474066638001} 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