iterations/neb0_image02_iter136.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 {} {0.46705240361 0.242952251657 0.483860288444} O1 1 1
14 {} {0.32913334942 0.241636020318 0.57316469427} Si1 2 1
14 {} {0.591043599937 0.336564082424 0.430688383452} Si2 3 1
8 {} {0.534459032027 0.479424268654 0.373285769972} O2 4 1
8 {} {0.32561596542 0.369272194961 0.675804968317} O3 5 1
14 {} {0.258504323499 0.51289726504 0.719678480951} Si3 6 1
14 {} {0.540095509434 0.64408248067 0.371587623414} Si4 7 1
1 {} {0.330064603717 0.116777721848 0.654259328098} H1 8 1
1 {} {0.211620412275 0.246309867473 0.48160724097} H2 9 1
1 {} {0.657638389839 0.262850882384 0.319865963604} H3 10 1
1 {} {0.683694389418 0.363987350471 0.544189256539} H4 11 1
1 {} {0.112368743739 0.493926113093 0.739998607267} H5 12 1
1 {} {0.329707291991 0.556756894805 0.842689371742} H6 13 1
1 {} {0.404224245111 0.695496898503 0.339873674959} H7 14 1
1 {} {0.637493290385 0.689378361859 0.268280536986} H8 15 1
1 {} {0.583121054299 0.696954161373 0.505009154993} H10 16 1
8 {} {0.273775639266 0.627157310927 0.600294330001} O 17 1
1 {} {0.340473857772 0.696093846537 0.606920386928} 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