./iterations/neb0_image09_iter262.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472405991692 0.213739902509 0.494563114967} O1 1 1
14 {} {0.333220394604 0.214769654444 0.581744511735} Si1 2 1
14 {} {0.606634443327 0.29482959125 0.446121741258} Si2 3 1
8 {} {0.570388819021 0.450456161282 0.407290998008} O2 4 1
8 {} {0.322770541699 0.350435358003 0.674130620088} O3 5 1
14 {} {0.300507371761 0.51336563413 0.671940199416} Si3 6 1
14 {} {0.51204646125 0.597072849943 0.452549038634} Si4 7 1
1 {} {0.334240387339 0.0979141912289 0.673113402164} H1 8 1
1 {} {0.219014510395 0.210177739748 0.486315154863} H2 9 1
1 {} {0.658853991624 0.228395374109 0.323938867479} H3 10 1
1 {} {0.706492416217 0.29394696803 0.556929450034} H4 11 1
1 {} {0.155675807865 0.544466106079 0.659783916412} H5 12 1
1 {} {0.359185339535 0.567098842539 0.79760224718} H6 13 1
1 {} {0.314473335999 0.916833084372 0.434732243834} H7 14 1
1 {} {0.476125978136 0.672025083609 0.329589085688} H8 15 1
1 {} {0.61516996461 0.667665332058 0.533806544171} H10 16 1
8 {} {0.374858131377 0.580271034847 0.541537289146} O 17 1
1 {} {0.278022272659 0.859055016743 0.46536922924} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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