iterations/neb0_image06_iter22.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.469445217354 0.226375263198 0.481999904837} O1 1 1
14 {} {0.331360377611 0.232162731336 0.573582049985} Si1 2 1
14 {} {0.600206879832 0.315621046132 0.438650059753} Si2 3 1
8 {} {0.549939533353 0.468348268205 0.390398826053} O2 4 1
8 {} {0.331656502144 0.366931401425 0.668896778261} O3 5 1
14 {} {0.287169515657 0.523172221846 0.687125180773} Si3 6 1
14 {} {0.503148806285 0.620978053609 0.431797515403} Si4 7 1
1 {} {0.330297090402 0.111329060502 0.661707277032} H1 8 1
1 {} {0.215092416111 0.233937505127 0.478461142186} H2 9 1
1 {} {0.667019051869 0.239469894572 0.326931572015} H3 10 1
1 {} {0.69494726947 0.328819413239 0.554927076155} H4 11 1
1 {} {0.134445063061 0.5147407573 0.705346524453} H5 12 1
1 {} {0.340722597207 0.554374095722 0.825916958503} H6 13 1
1 {} {0.347351752558 0.791518478193 0.424918420159} H7 14 1
1 {} {0.534858427068 0.685649949512 0.296049898537} H8 15 1
1 {} {0.59064788276 0.679955949902 0.532708568466} H10 16 1
8 {} {0.348013305572 0.614503958915 0.562741752301} O 17 1
1 {} {0.333764457764 0.764629906527 0.488898488402} 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