iterations/neb0_image02_iter215.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 {} {0.461068124293 0.25863461011 0.49104991096} O1 1 1
14 {} {0.32763918641 0.239441890175 0.584230564558} Si1 2 1
14 {} {0.58402788425 0.346751669211 0.429224752488} Si2 3 1
8 {} {0.529143473361 0.489021895242 0.368135286907} O2 4 1
8 {} {0.315580197154 0.358733292783 0.696590082564} O3 5 1
14 {} {0.24762061104 0.505257883547 0.728715280763} Si3 6 1
14 {} {0.556976534035 0.651126925301 0.359156466185} Si4 7 1
1 {} {0.341314839376 0.109912391679 0.655948305861} H1 8 1
1 {} {0.208291774968 0.241098489966 0.495132067686} H2 9 1
1 {} {0.643541442292 0.268207240895 0.318513376313} H3 10 1
1 {} {0.683366338368 0.376413844849 0.536175777374} H4 11 1
1 {} {0.100844931962 0.489497061447 0.744581305037} H5 12 1
1 {} {0.314266510152 0.554599653131 0.852296091061} H6 13 1
1 {} {0.431202772744 0.716691327217 0.314622125976} H7 14 1
1 {} {0.666839415611 0.681028915015 0.262475037623} H8 15 1
1 {} {0.593563087136 0.704908401351 0.494428888443} H10 16 1
8 {} {0.264412681588 0.610735495875 0.602843459683} O 17 1
1 {} {0.340386380073 0.670457019211 0.59693927852} 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