iterations/neb0_image04_iter250.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.465744971063 0.261574769375 0.491408064427} O1 1 1
14 {} {0.325150803886 0.229416061731 0.568503832635} Si1 2 1
14 {} {0.597455171916 0.348310009849 0.447284132472} Si2 3 1
8 {} {0.555079048664 0.505253049876 0.426969295302} O2 4 1
8 {} {0.285137883226 0.347534648011 0.675035365982} O3 5 1
14 {} {0.242831643345 0.503588513209 0.700322383071} Si3 6 1
14 {} {0.580082865098 0.665969001466 0.400643363907} Si4 7 1
1 {} {0.343531417428 0.105339503282 0.646990005434} H1 8 1
1 {} {0.217618117567 0.214499195554 0.466421415032} H2 9 1
1 {} {0.648038028268 0.290559217516 0.318222427574} H3 10 1
1 {} {0.701198568974 0.340634559753 0.555908787442} H4 11 1
1 {} {0.106471575301 0.50975370045 0.761018548371} H5 12 1
1 {} {0.343395440699 0.561509347228 0.793474571016} H6 13 1
1 {} {0.454872605817 0.73796100502 0.436054222972} H7 14 1
1 {} {0.614159587121 0.68967585534 0.257164272292} H8 15 1
1 {} {0.69308560777 0.716145878688 0.484333728249} H10 16 1
8 {} {0.241539019255 0.579990843032 0.553511122052} O 17 1
1 {} {0.194693603539 0.664802663689 0.547792706394} 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