iterations/neb0_image05_iter57.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 {} {0.469018713414 0.222395504745 0.481734498568} O1 1 1
14 {} {0.332266791415 0.230165182053 0.571421594592} Si1 2 1
14 {} {0.590481049453 0.329182967877 0.442056415016} Si2 3 1
8 {} {0.525956409624 0.47551867784 0.411184887431} O2 4 1
8 {} {0.332425018023 0.363716937218 0.668371834706} O3 5 1
14 {} {0.286810228275 0.519037308331 0.688797853837} Si3 6 1
14 {} {0.503764252256 0.640829288714 0.431196112101} Si4 7 1
1 {} {0.330097126549 0.114092455952 0.665263566973} H1 8 1
1 {} {0.212264584764 0.232749375798 0.479993471579} H2 9 1
1 {} {0.654557956952 0.268362475318 0.322430797674} H3 10 1
1 {} {0.689497809345 0.339640266838 0.553736013161} H4 11 1
1 {} {0.139685544269 0.535426583798 0.687689996927} H5 12 1
1 {} {0.344279167153 0.569032792136 0.815923619532} H6 13 1
1 {} {0.393471036057 0.761170554689 0.422010326992} H7 14 1
1 {} {0.53062102712 0.681638900749 0.292874806169} H8 15 1
1 {} {0.597563034656 0.693994356772 0.532681742789} H10 16 1
8 {} {0.348414082183 0.602236942528 0.556566137989} O 17 1
1 {} {0.328912281532 0.693327383037 0.50712430106} 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