./iterations/neb0_image05_iter233.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.473349142123 0.254907553428 0.492174680551} O1 1 1
14 {} {0.325972873674 0.228776262015 0.559450996229} Si1 2 1
14 {} {0.606555342739 0.347182284849 0.470254485093} Si2 3 1
8 {} {0.574766563952 0.503426948544 0.511278504146} O2 4 1
8 {} {0.270197610627 0.365849538948 0.629866873867} O3 5 1
14 {} {0.235864345236 0.52337921809 0.659560498796} Si3 6 1
14 {} {0.571643715778 0.658301987954 0.451206376171} Si4 7 1
1 {} {0.337878503803 0.123013046262 0.663350509669} H1 8 1
1 {} {0.231640492612 0.182648040402 0.45337001612} H2 9 1
1 {} {0.647831716775 0.336421140188 0.326920873127} H3 10 1
1 {} {0.71355138215 0.292352205675 0.559196071413} H4 11 1
1 {} {0.137523307468 0.527621265507 0.769539957906} H5 12 1
1 {} {0.363245248537 0.592185171218 0.691768054839} H6 13 1
1 {} {0.504019180458 0.74625880236 0.550066848819} H7 14 1
1 {} {0.49083883865 0.653661658052 0.323896065674} H8 15 1
1 {} {0.711500270099 0.708002242983 0.426143168676} H10 16 1
8 {} {0.172763482802 0.604979948295 0.530424693004} O 17 1
1 {} {0.240944001513 0.623550744053 0.46258952027} 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
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
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 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 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