./iterations/neb0_image02_iter28.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 {} {0.468660664934 0.238569647249 0.474614200887} O1 1 1
14 {} {0.330150120694 0.245956270185 0.561669998606} Si1 2 1
14 {} {0.597173465691 0.331290548087 0.431927775234} Si2 3 1
8 {} {0.544334163802 0.475987116117 0.373990679175} O2 4 1
8 {} {0.333415372539 0.377847266863 0.65993824828} O3 5 1
14 {} {0.270419972502 0.51869933236 0.717727863} Si3 6 1
14 {} {0.529162277352 0.640732921081 0.378426878892} Si4 7 1
1 {} {0.321243602019 0.122497520543 0.645163960176} H1 8 1
1 {} {0.214489451694 0.253775377618 0.467891121303} H2 9 1
1 {} {0.669570559777 0.252181656784 0.329483293632} H3 10 1
1 {} {0.685375967605 0.346608671259 0.550962585553} H4 11 1
1 {} {0.125173243737 0.498011705341 0.736526824081} H5 12 1
1 {} {0.341314994441 0.542929355537 0.846979073441} H6 13 1
1 {} {0.388146501648 0.683308148597 0.357132144769} H7 14 1
1 {} {0.609124668457 0.702636048129 0.2684491553} H8 15 1
1 {} {0.565719765652 0.686327721991 0.515360221293} H10 16 1
8 {} {0.282083988218 0.638501580579 0.604277575135} O 17 1
1 {} {0.334527365967 0.716657076894 0.610536389326} 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