iterations/neb0_image05_iter176.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 {} {0.473890232343 0.23736309997 0.487506688167} O1 1 1
14 {} {0.329323527574 0.22607621064 0.564323528814} Si1 2 1
14 {} {0.597557020364 0.343114011803 0.463421050485} Si2 3 1
8 {} {0.543040017684 0.495733981056 0.487683105949} O2 4 1
8 {} {0.293315520347 0.362400744802 0.646447500755} O3 5 1
14 {} {0.253473679991 0.519864589094 0.66359889285} Si3 6 1
14 {} {0.556470903487 0.651380640309 0.438729496726} Si4 7 1
1 {} {0.338899683316 0.115628588044 0.66347604796} H1 8 1
1 {} {0.225690763198 0.201677747657 0.460881868045} H2 9 1
1 {} {0.645945240112 0.329523456788 0.324498949863} H3 10 1
1 {} {0.703170997242 0.313679461224 0.562992384041} H4 11 1
1 {} {0.134838285419 0.525483008708 0.752859778578} H5 12 1
1 {} {0.367984388743 0.593040387106 0.724879545956} H6 13 1
1 {} {0.458226264324 0.725340177994 0.523571640535} H7 14 1
1 {} {0.517049244923 0.666754825963 0.294052239617} H8 15 1
1 {} {0.69416809971 0.705488394003 0.457488830823} H10 16 1
8 {} {0.213003972128 0.590286215076 0.518090688197} O 17 1
1 {} {0.264038173352 0.669682397752 0.496555894185} 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