./iterations/neb0_image06_iter41.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 {} {0.469523637893 0.225031394536 0.482339447916} O1 1 1
14 {} {0.332264673024 0.230177501535 0.570700843506} Si1 2 1
14 {} {0.594823648832 0.320487618389 0.440678215524} Si2 3 1
8 {} {0.538080372867 0.469064865212 0.403356779032} O2 4 1
8 {} {0.333153151182 0.363576913696 0.665516534375} O3 5 1
14 {} {0.293736618016 0.518441281593 0.683526197957} Si3 6 1
14 {} {0.496496973614 0.621632638301 0.447527392476} Si4 7 1
1 {} {0.32941048404 0.113507756026 0.659378289832} H1 8 1
1 {} {0.215921413601 0.235017798475 0.480349021225} H2 9 1
1 {} {0.661667377345 0.252916773376 0.327828283635} H3 10 1
1 {} {0.691015399945 0.332975183749 0.55201752965} H4 11 1
1 {} {0.144325703317 0.529789774119 0.692302698958} H5 12 1
1 {} {0.343230661435 0.565610446504 0.81613027342} H6 13 1
1 {} {0.358545878408 0.78811193888 0.424411142161} H7 14 1
1 {} {0.512716193968 0.68235690076 0.310429039937} H8 15 1
1 {} {0.596278079803 0.685585041925 0.538452508395} H10 16 1
8 {} {0.365464564454 0.594933894255 0.55659617147} O 17 1
1 {} {0.333431297766 0.743300231745 0.479517613114} 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