./iterations/neb0_image01_iter41.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 {} {0.467587234476 0.241225471621 0.472354935971} O1 1 1
14 {} {0.328372798209 0.249197503878 0.558879338656} Si1 2 1
14 {} {0.598190901049 0.331359143912 0.431184541577} Si2 3 1
8 {} {0.551051369848 0.475744147087 0.368741024712} O2 4 1
8 {} {0.334004071574 0.379841102101 0.658381575245} O3 5 1
14 {} {0.266503956366 0.51471565313 0.723000417723} Si3 6 1
14 {} {0.530304353959 0.638606972925 0.373561296003} Si4 7 1
1 {} {0.318846742896 0.125268084166 0.639933130274} H1 8 1
1 {} {0.214292123115 0.260250871997 0.464528426121} H2 9 1
1 {} {0.671872763939 0.254510617066 0.327987363172} H3 10 1
1 {} {0.683536476206 0.352874460553 0.551334454111} H4 11 1
1 {} {0.121822330075 0.492369831806 0.74538741355} H5 12 1
1 {} {0.341300559587 0.540462573562 0.849290999328} H6 13 1
1 {} {0.387967863459 0.672496406803 0.345543683593} H7 14 1
1 {} {0.61717575096 0.704263349399 0.270982341343} H8 15 1
1 {} {0.562856625922 0.689324388027 0.511139894305} H10 16 1
8 {} {0.269887903188 0.643970421425 0.620425185349} O 17 1
1 {} {0.344512316188 0.706036947186 0.618401964335} 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