./iterations/neb0_image01_iter118.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 {} {0.467217379009 0.244646798396 0.47382628445} O1 1 1
14 {} {0.328138156624 0.249880813054 0.561051590378} Si1 2 1
14 {} {0.598652422684 0.3327101062 0.429799304629} Si2 3 1
8 {} {0.553568339669 0.475860793783 0.363570204282} O2 4 1
8 {} {0.330266726598 0.37954815882 0.661696928832} O3 5 1
14 {} {0.262177496075 0.514981287213 0.725806277519} Si3 6 1
14 {} {0.532308500276 0.638820957009 0.370681534685} Si4 7 1
1 {} {0.320786045917 0.125985098518 0.64296453035} H1 8 1
1 {} {0.213114230628 0.259421306061 0.466942558481} H2 9 1
1 {} {0.670154745642 0.253934462321 0.326425673437} H3 10 1
1 {} {0.683725791739 0.358082237497 0.549617584834} H4 11 1
1 {} {0.11752571362 0.491526231569 0.748097238812} H5 12 1
1 {} {0.336306098422 0.542946131856 0.851995395447} H6 13 1
1 {} {0.391012629933 0.673432958248 0.338320973682} H7 14 1
1 {} {0.62356020006 0.704936745985 0.273251616606} H8 15 1
1 {} {0.563273319052 0.688615743882 0.50881429996} H10 16 1
8 {} {0.267288141795 0.643556208677 0.623058263779} O 17 1
1 {} {0.351010172887 0.69363192764 0.615137727372} 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