./iterations/neb0_image02_iter186.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.463609932124 0.254415241821 0.490833373613} O1 1 1
14 {} {0.328421446738 0.239680573477 0.582211683567} Si1 2 1
14 {} {0.585882381706 0.34473138489 0.429713873641} Si2 3 1
8 {} {0.528905420344 0.486592519563 0.369626692796} O2 4 1
8 {} {0.318619657142 0.36092063671 0.692418836178} O3 5 1
14 {} {0.250456543691 0.507209580984 0.726707844787} Si3 6 1
14 {} {0.551942140404 0.649587445909 0.361509642853} Si4 7 1
1 {} {0.33824383004 0.111048038383 0.656046032284} H1 8 1
1 {} {0.209285504374 0.24160320319 0.492443494745} H2 9 1
1 {} {0.646213365348 0.26649831021 0.318743292284} H3 10 1
1 {} {0.684161133129 0.373600153361 0.538349271677} H4 11 1
1 {} {0.103601028625 0.491130339594 0.74223338707} H5 12 1
1 {} {0.317475467835 0.556151080681 0.850413107412} H6 13 1
1 {} {0.425137196121 0.714400289658 0.318315647287} H7 14 1
1 {} {0.660488800629 0.681155563969 0.264060506366} H8 15 1
1 {} {0.590242339331 0.702143047591 0.496610951425} H10 16 1
8 {} {0.267021557277 0.614303660194 0.601979517493} O 17 1
1 {} {0.340378366959 0.677346858935 0.598840989799} 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
12 5 0 0
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
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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