iterations/neb0_image02_iter299.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 {} {0.453550333633 0.268224170183 0.480917263327} O1 1 1
14 {} {0.325031893561 0.242141663046 0.579237955255} Si1 2 1
14 {} {0.585592486452 0.347438604738 0.427838414486} Si2 3 1
8 {} {0.54287468812 0.49313907071 0.365407612823} O2 4 1
8 {} {0.311010357637 0.360330491771 0.692602420943} O3 5 1
14 {} {0.240909643986 0.50254730839 0.733855940467} Si3 6 1
14 {} {0.56456026312 0.655890313036 0.357715965941} Si4 7 1
1 {} {0.347106688306 0.11430049504 0.650082440642} H1 8 1
1 {} {0.203210008497 0.238278950975 0.494985047532} H2 9 1
1 {} {0.645748219621 0.266325038237 0.319291435217} H3 10 1
1 {} {0.680913185465 0.369194801842 0.540306421528} H4 11 1
1 {} {0.0957964538642 0.483338066914 0.756701641196} H5 12 1
1 {} {0.31107775923 0.550589743837 0.8557305952} H6 13 1
1 {} {0.43570641312 0.720159263151 0.318769856271} H7 14 1
1 {} {0.670025245348 0.690264991885 0.257461565397} H8 15 1
1 {} {0.604995286142 0.706979340397 0.493192174275} H10 16 1
8 {} {0.251697471271 0.613275268086 0.612089796804} O 17 1
1 {} {0.340280140305 0.65010073328 0.594871001479} 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