./iterations/neb0_image01_iter113.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 {} {0.467272815901 0.243614398564 0.473521108865} O1 1 1
14 {} {0.328091564379 0.249776562136 0.560777195431} Si1 2 1
14 {} {0.598490315627 0.332499497338 0.43000121901} Si2 3 1
8 {} {0.552934754822 0.475722990018 0.364528036914} O2 4 1
8 {} {0.330845762651 0.379723384855 0.660860334832} O3 5 1
14 {} {0.262373485554 0.514914406595 0.725137872208} Si3 6 1
14 {} {0.532006598194 0.638739292991 0.37145481012} Si4 7 1
1 {} {0.320481301406 0.125965481298 0.642947650745} H1 8 1
1 {} {0.213253343408 0.259354689069 0.46633418738} H2 9 1
1 {} {0.670479419682 0.254765089721 0.32612057707} H3 10 1
1 {} {0.683570760446 0.357402545099 0.549985919594} H4 11 1
1 {} {0.117894169352 0.490782701629 0.747891357465} H5 12 1
1 {} {0.337276943576 0.544378444951 0.850452216981} H6 13 1
1 {} {0.390223956161 0.672642330807 0.340178388018} H7 14 1
1 {} {0.622549107462 0.704510225268 0.273155352427} H8 15 1
1 {} {0.563873472281 0.689031954271 0.509212500627} H10 16 1
8 {} {0.268067779077 0.644285475975 0.621907628938} O 17 1
1 {} {0.350400573891 0.694408488405 0.616591637001} 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