./iterations/neb0_image01_iter288.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.46063499357 0.2597294923 0.480877523373} O1 1 1
14 {} {0.327257727805 0.246543147566 0.574729700637} Si1 2 1
14 {} {0.592959427715 0.339968095781 0.427229328796} Si2 3 1
8 {} {0.550433909473 0.479690545883 0.352468458619} O2 4 1
8 {} {0.322766866497 0.366020189552 0.688042924734} O3 5 1
14 {} {0.254538972471 0.509954628663 0.729567024014} Si3 6 1
14 {} {0.540939591834 0.643869372511 0.359046546254} Si4 7 1
1 {} {0.3346597108 0.115838896619 0.645098786119} H1 8 1
1 {} {0.207095328486 0.255339737855 0.487164702227} H2 9 1
1 {} {0.659902424791 0.253129646938 0.327381219264} H3 10 1
1 {} {0.682143011794 0.371782494171 0.542439548546} H4 11 1
1 {} {0.107531560128 0.492396293192 0.741224950281} H5 12 1
1 {} {0.31859986316 0.552083669341 0.857288972843} H6 13 1
1 {} {0.410607693271 0.686649004852 0.302038588918} H7 14 1
1 {} {0.653483040349 0.704065074943 0.28188100446} H8 15 1
1 {} {0.550386069761 0.690643697892 0.501339661597} H10 16 1
8 {} {0.277223377158 0.626431602508 0.614379398676} O 17 1
1 {} {0.358922361687 0.678381984326 0.618859548256} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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