./iterations/neb0_image07_iter16.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 {} {0.469967160563 0.224259703499 0.485955468966} O1 1 1
14 {} {0.332488968571 0.227499910201 0.577252450673} Si1 2 1
14 {} {0.603207341936 0.30820979657 0.44045296697} Si2 3 1
8 {} {0.557101299616 0.4611857799 0.389616193988} O2 4 1
8 {} {0.330806432128 0.358646449361 0.672155978493} O3 5 1
14 {} {0.289063270119 0.520859675455 0.682820048235} Si3 6 1
14 {} {0.497517662693 0.608768318885 0.44193751305} Si4 7 1
1 {} {0.333833432861 0.109976284693 0.668617501848} H1 8 1
1 {} {0.215524892837 0.226798369473 0.483232263497} H2 9 1
1 {} {0.665079700448 0.234585616651 0.326463729108} H3 10 1
1 {} {0.697662484616 0.322296675375 0.555565237824} H4 11 1
1 {} {0.134305778704 0.518117881232 0.69434880812} H5 12 1
1 {} {0.3433798787 0.558583976196 0.821639785196} H6 13 1
1 {} {0.336632041657 0.81730737718 0.420076632606} H7 14 1
1 {} {0.523633769113 0.685010521012 0.301956761573} H8 15 1
1 {} {0.596466763285 0.676416466031 0.531395427585} H10 16 1
8 {} {0.35786048727 0.606610704376 0.549080487792} O 17 1
1 {} {0.325554779448 0.807384452759 0.488490749408} 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