./iterations/neb0_image07_iter282.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 {} {0.481232985468 0.203900859771 0.50289903916} O1 1 1
14 {} {0.33951308473 0.209997703688 0.586529616122} Si1 2 1
14 {} {0.611084011682 0.292434093542 0.455301112238} Si2 3 1
8 {} {0.572209035299 0.449711735463 0.433184586334} O2 4 1
8 {} {0.316475985278 0.356852952891 0.655812886247} O3 5 1
14 {} {0.288972772807 0.51859677055 0.64732088076} Si3 6 1
14 {} {0.496290745424 0.595235322242 0.432490867993} Si4 7 1
1 {} {0.341651100219 0.11153601731 0.696818146688} H1 8 1
1 {} {0.231718295178 0.183381912433 0.48809100638} H2 9 1
1 {} {0.661591507107 0.241867830846 0.325269653407} H3 10 1
1 {} {0.71379459471 0.283107614228 0.562303182413} H4 11 1
1 {} {0.142381345955 0.541382710211 0.651427151192} H5 12 1
1 {} {0.357179629311 0.58452928622 0.761420153752} H6 13 1
1 {} {0.33940679341 0.914323338017 0.48745633826} H7 14 1
1 {} {0.471233765399 0.635886090335 0.291489259474} H8 15 1
1 {} {0.586029893301 0.692184419259 0.500574039744} H10 16 1
8 {} {0.350984912484 0.583169495096 0.509089796352} O 17 1
1 {} {0.308335304647 0.874419740818 0.543579986989} 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