iterations/neb0_image08_iter103.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471394835477 0.219991919487 0.489839793241} O1 1 1
14 {} {0.332374173748 0.220645672357 0.577652821557} Si1 2 1
14 {} {0.603046593267 0.306887440588 0.444953533398} Si2 3 1
8 {} {0.562456139414 0.459748291723 0.401432726375} O2 4 1
8 {} {0.327874201641 0.351069596167 0.677880686383} O3 5 1
14 {} {0.299165125357 0.513156983196 0.675907002284} Si3 6 1
14 {} {0.505540312724 0.604333842274 0.453428844365} Si4 7 1
1 {} {0.329169619598 0.0991684574132 0.662131396354} H1 8 1
1 {} {0.217668574919 0.227385110804 0.483331637471} H2 9 1
1 {} {0.663293088984 0.243115448058 0.325337730323} H3 10 1
1 {} {0.697994286342 0.313872563177 0.559595704746} H4 11 1
1 {} {0.152710567911 0.538654751246 0.665882797866} H5 12 1
1 {} {0.356619654548 0.570045959556 0.800874127785} H6 13 1
1 {} {0.332905980933 0.851172994268 0.419315138728} H7 14 1
1 {} {0.473784791789 0.682721394513 0.331999832026} H8 15 1
1 {} {0.608747655423 0.672009401614 0.536268395701} H10 16 1
8 {} {0.370281661414 0.582673304983 0.544936342366} O 17 1
1 {} {0.305058883821 0.815864846929 0.480289441049} 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
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 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 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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