./iterations/neb0_image05_iter2.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.469651771488 0.230067706296 0.484111322227} O1 1 1
14 {} {0.331676816788 0.234577623023 0.572886382594} Si1 2 1
14 {} {0.603700606125 0.312634927213 0.438341519503} Si2 3 1
8 {} {0.56537117874 0.461373300836 0.381539374635} O2 4 1
8 {} {0.32827605838 0.368476247369 0.66616670802} O3 5 1
14 {} {0.278391698451 0.512136400925 0.701708895882} Si3 6 1
14 {} {0.521504471566 0.615557658262 0.405749606308} Si4 7 1
1 {} {0.330031517484 0.116980260789 0.661994369565} H1 8 1
1 {} {0.216352388871 0.235284979224 0.480192558007} H2 9 1
1 {} {0.66666097088 0.237310200407 0.328336889561} H3 10 1
1 {} {0.694193185164 0.327574058017 0.5546212341} H4 11 1
1 {} {0.133574125515 0.509093337746 0.704838165147} H5 12 1
1 {} {0.343624315175 0.551118053821 0.826596600647} H6 13 1
1 {} {0.352957740902 0.793922071547 0.367885416209} H7 14 1
1 {} {0.553354435375 0.689233184912 0.297102541946} H8 15 1
1 {} {0.582786127171 0.676818799073 0.516936237983} H10 16 1
8 {} {0.316733380024 0.614842666394 0.591692161091} O 17 1
1 {} {0.3212453519 0.785516484045 0.550358016374} 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