./iterations/neb0_image08_iter232.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 {} {0.472532008774 0.224988546868 0.493312027047} O1 1 1
14 {} {0.331058514199 0.218730710989 0.576805757536} Si1 2 1
14 {} {0.613865196697 0.296981909657 0.45184323916} Si2 3 1
8 {} {0.592617836933 0.456671265256 0.419442626629} O2 4 1
8 {} {0.3132478509 0.349284081352 0.675697516099} O3 5 1
14 {} {0.300719914055 0.513423199314 0.667961079254} Si3 6 1
14 {} {0.511801849657 0.596341383377 0.447323580026} Si4 7 1
1 {} {0.331660436685 0.0970305742928 0.661685985994} H1 8 1
1 {} {0.219854155167 0.21478485998 0.477876808785} H2 9 1
1 {} {0.663155579779 0.230520968365 0.328628711997} H3 10 1
1 {} {0.71035574846 0.28273036873 0.564646357632} H4 11 1
1 {} {0.157729164617 0.553223513802 0.658734441309} H5 12 1
1 {} {0.366365240285 0.568281469308 0.789883089217} H6 13 1
1 {} {0.310828992531 0.91157077265 0.474611888095} H7 14 1
1 {} {0.471737083994 0.652890699303 0.317087501288} H8 15 1
1 {} {0.598734898267 0.686480033656 0.526662263083} H10 16 1
8 {} {0.373568694697 0.57055719244 0.532779354047} O 17 1
1 {} {0.270253092638 0.848026327157 0.466075481076} 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