./iterations/neb0_image07_iter290.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.481265120843 0.2014584735 0.503118796051} O1 1 1
14 {} {0.340123099927 0.210119978915 0.586051552233} Si1 2 1
14 {} {0.609166321439 0.294082201124 0.455865292441} Si2 3 1
8 {} {0.564940532464 0.449062121046 0.435990024062} O2 4 1
8 {} {0.319535409703 0.360273646057 0.650130510258} O3 5 1
14 {} {0.288986863855 0.520162890414 0.648754289482} Si3 6 1
14 {} {0.496836652193 0.597065596835 0.43392908786} Si4 7 1
1 {} {0.340947412011 0.11421354895 0.699455236332} H1 8 1
1 {} {0.23240687618 0.181290631896 0.489184366918} H2 9 1
1 {} {0.660339562802 0.245621093795 0.324052320278} H3 10 1
1 {} {0.713638468771 0.285962259523 0.562550882517} H4 11 1
1 {} {0.141916146 0.541693286772 0.653385210494} H5 12 1
1 {} {0.35413359165 0.582317827442 0.76711417908} H6 13 1
1 {} {0.341514336109 0.903163240284 0.479741997391} H7 14 1
1 {} {0.472046228256 0.636697453666 0.293085170078} H8 15 1
1 {} {0.592024234514 0.690858970905 0.498758689258} H10 16 1
8 {} {0.352686301775 0.590892069364 0.513590455483} O 17 1
1 {} {0.307578584819 0.867582646298 0.536299666094} 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