iterations/neb0_image07_iter156.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 {} {0.47136216838 0.241534968745 0.49174772857} O1 1 1
14 {} {0.332138983808 0.222137176593 0.577690117548} Si1 2 1
14 {} {0.615962144617 0.307016294483 0.451405840407} Si2 3 1
8 {} {0.599835619012 0.467378771841 0.419433274747} O2 4 1
8 {} {0.307411354237 0.348114370359 0.681302039421} O3 5 1
14 {} {0.291371262603 0.511002394148 0.656860909388} Si3 6 1
14 {} {0.495982921049 0.595148216348 0.440034745184} Si4 7 1
1 {} {0.340802259503 0.100054047651 0.661022993002} H1 8 1
1 {} {0.221174367437 0.21475274012 0.47892512419} H2 9 1
1 {} {0.664136884598 0.235126194774 0.330103250737} H3 10 1
1 {} {0.712435452346 0.281957036624 0.563571517229} H4 11 1
1 {} {0.146144982528 0.548497136139 0.658207260618} H5 12 1
1 {} {0.370857133971 0.587209499484 0.758807655871} H6 13 1
1 {} {0.349216051149 0.888621591018 0.489368504715} H7 14 1
1 {} {0.450257161996 0.65734448908 0.312712457549} H8 15 1
1 {} {0.568242029726 0.690904234953 0.527267867646} H10 16 1
8 {} {0.354002600956 0.546185316641 0.508594424012} O 17 1
1 {} {0.318752612688 0.829533341198 0.52400213377} 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