./iterations/neb0_image03_iter232.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.455841216996 0.267871635789 0.489810555412} O1 1 1
14 {} {0.323406274981 0.23870305397 0.582553593522} Si1 2 1
14 {} {0.5826933626 0.351525056541 0.42969553495} Si2 3 1
8 {} {0.53370425163 0.49533974694 0.368103988467} O2 4 1
8 {} {0.303530100772 0.351510501022 0.699984297337} O3 5 1
14 {} {0.255588727384 0.504435730251 0.738572122874} Si3 6 1
14 {} {0.565098460223 0.657515273397 0.36080373532} Si4 7 1
1 {} {0.341174896248 0.106530432699 0.649068651024} H1 8 1
1 {} {0.206599411839 0.239617185641 0.489785727791} H2 9 1
1 {} {0.642219907576 0.270417223234 0.320353586738} H3 10 1
1 {} {0.682778745005 0.376389321961 0.537329053236} H4 11 1
1 {} {0.106615478204 0.508293727494 0.739573666188} H5 12 1
1 {} {0.316456423559 0.536699086917 0.870006686739} H6 13 1
1 {} {0.437612056906 0.723964594889 0.326747748557} H7 14 1
1 {} {0.66694107686 0.684388253839 0.254690720243} H8 15 1
1 {} {0.617905913521 0.708662064362 0.490384824738} H10 16 1
8 {} {0.312434909321 0.617331613836 0.63317019073} O 17 1
1 {} {0.259484974334 0.633323564741 0.550422969806} 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