./iterations/neb0_image07_iter119.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.46996370152 0.225786883939 0.491081698268} O1 1 1
14 {} {0.330782450277 0.222246379804 0.578300546508} Si1 2 1
14 {} {0.60433653978 0.309956597054 0.447381485364} Si2 3 1
8 {} {0.569372727599 0.465060905453 0.407142298475} O2 4 1
8 {} {0.322262988136 0.352752154693 0.67892672063} O3 5 1
14 {} {0.297446395425 0.515229144412 0.672038442884} Si3 6 1
14 {} {0.50406796317 0.60857839151 0.449986897731} Si4 7 1
1 {} {0.328884905459 0.0989918027984 0.662110318543} H1 8 1
1 {} {0.214198596107 0.225340471187 0.484432963623} H2 9 1
1 {} {0.657118615714 0.245367460472 0.325917383473} H3 10 1
1 {} {0.700887200247 0.314781972057 0.560123401044} H4 11 1
1 {} {0.151940456736 0.541849318203 0.663903596029} H5 12 1
1 {} {0.358126813723 0.574258880486 0.794051458826} H6 13 1
1 {} {0.348274788541 0.834543836183 0.437869194707} H7 14 1
1 {} {0.475905843205 0.679014862918 0.320928092246} H8 15 1
1 {} {0.59712048112 0.691240160923 0.533779868177} H10 16 1
8 {} {0.366542790835 0.578370168099 0.536666559474} O 17 1
1 {} {0.312852850154 0.789148521502 0.486417013368} 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