./iterations/neb0_image06_iter73.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 {} {0.46826395021 0.22185526089 0.486698330552} O1 1 1
14 {} {0.330985675835 0.225993881286 0.576681536317} Si1 2 1
14 {} {0.594098149616 0.319243253847 0.443315753859} Si2 3 1
8 {} {0.541224338004 0.468422945624 0.407882063707} O2 4 1
8 {} {0.327320955818 0.355911675609 0.677351868683} O3 5 1
14 {} {0.295477333641 0.517154789233 0.680679741834} Si3 6 1
14 {} {0.499025675251 0.619565502344 0.450427892576} Si4 7 1
1 {} {0.327980171516 0.106148977482 0.663134545736} H1 8 1
1 {} {0.216027657066 0.231627509291 0.482930458625} H2 9 1
1 {} {0.656329361164 0.267943136341 0.318860096591} H3 10 1
1 {} {0.689156307638 0.334266926064 0.557124879808} H4 11 1
1 {} {0.148432985188 0.539154605325 0.675315525874} H5 12 1
1 {} {0.349556156325 0.569807695628 0.808837763259} H6 13 1
1 {} {0.369109065595 0.786119545679 0.425746546884} H7 14 1
1 {} {0.504680253291 0.681499638682 0.312380416448} H8 15 1
1 {} {0.59855489775 0.692512388196 0.533565366989} H10 16 1
8 {} {0.365453245104 0.589131080124 0.55035022194} O 17 1
1 {} {0.328409928319 0.746159144483 0.479774977507} 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