./iterations/neb0_image06_iter222.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 {} {0.474978820815 0.228728990093 0.487287608703} O1 1 1
14 {} {0.330838449246 0.215760335772 0.564845417451} Si1 2 1
14 {} {0.608683708579 0.320293378461 0.461411271562} Si2 3 1
8 {} {0.576095105636 0.478492102407 0.482499119029} O2 4 1
8 {} {0.293534514347 0.351527814365 0.650547257868} O3 5 1
14 {} {0.284335084904 0.515990917663 0.650797914354} Si3 6 1
14 {} {0.4896299842 0.61292926715 0.448175698185} Si4 7 1
1 {} {0.334053089105 0.104829877468 0.664044393561} H1 8 1
1 {} {0.225725144701 0.192644039054 0.461986531221} H2 9 1
1 {} {0.650288273767 0.301793054547 0.319687888816} H3 10 1
1 {} {0.71390403438 0.291437427099 0.561902441592} H4 11 1
1 {} {0.14596723408 0.54710129476 0.696898216531} H5 12 1
1 {} {0.384506847973 0.575038659882 0.741793231704} H6 13 1
1 {} {0.388244017659 0.811019269967 0.528777766868} H7 14 1
1 {} {0.4692690453 0.649018649045 0.305958256515} H8 15 1
1 {} {0.589998596081 0.717124035697 0.496044279597} H10 16 1
8 {} {0.329586033729 0.576661935317 0.502937943079} O 17 1
1 {} {0.320447950321 0.782126885801 0.505462903623} 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