./iterations/neb0_image05_iter219.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 {} {0.474373162207 0.248986241612 0.490589435347} O1 1 1
14 {} {0.32621700136 0.229009142497 0.560452884582} Si1 2 1
14 {} {0.604833602725 0.345898377711 0.469460536538} Si2 3 1
8 {} {0.566570986926 0.501990255191 0.505626463798} O2 4 1
8 {} {0.275289473663 0.365369021138 0.63444204237} O3 5 1
14 {} {0.239245510265 0.522911005967 0.662211233796} Si3 6 1
14 {} {0.569946560929 0.655796530647 0.447055267912} Si4 7 1
1 {} {0.338283028243 0.121130326167 0.661520613429} H1 8 1
1 {} {0.228736574423 0.186009856451 0.456102343867} H2 9 1
1 {} {0.646583159792 0.336829014952 0.326465939171} H3 10 1
1 {} {0.711571257739 0.299630328658 0.560770584155} H4 11 1
1 {} {0.136323904188 0.523951758706 0.769891442878} H5 12 1
1 {} {0.364028889142 0.594006765551 0.694825802355} H6 13 1
1 {} {0.490931616135 0.737508205068 0.545381138812} H7 14 1
1 {} {0.50016846736 0.658812900213 0.314447994531} H8 15 1
1 {} {0.709557410579 0.70682881724 0.431814824847} H10 16 1
8 {} {0.177511179444 0.601002159791 0.52858117991} O 17 1
1 {} {0.249914220836 0.636847315513 0.471418455181} 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