./iterations/neb0_image05_iter24.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 {} {0.469761068517 0.225878053736 0.482945746089} O1 1 1
14 {} {0.332076983097 0.233974231649 0.574275851296} Si1 2 1
14 {} {0.598185081763 0.318414134804 0.438339112869} Si2 3 1
8 {} {0.54434959207 0.472796136167 0.393180203666} O2 4 1
8 {} {0.331935451331 0.373122573594 0.663769562808} O3 5 1
14 {} {0.282313335219 0.52890676551 0.690617860842} Si3 6 1
14 {} {0.508192321125 0.635526845421 0.4177390193} Si4 7 1
1 {} {0.33073605606 0.112489703589 0.663118069699} H1 8 1
1 {} {0.215213118115 0.232748626247 0.479855176463} H2 9 1
1 {} {0.665836993282 0.240567525334 0.32728025746} H3 10 1
1 {} {0.69464544585 0.328304166786 0.554211653944} H4 11 1
1 {} {0.134239944596 0.516189961818 0.704442986744} H5 12 1
1 {} {0.340106768679 0.555875001675 0.824637272198} H6 13 1
1 {} {0.360904226729 0.779145610723 0.414929729058} H7 14 1
1 {} {0.545498881009 0.685911411396 0.284998640151} H8 15 1
1 {} {0.589969385913 0.678530721416 0.532167391251} H10 16 1
8 {} {0.336699501152 0.632790609396 0.570000723383} O 17 1
1 {} {0.3294219839 0.72134587952 0.514548730578} 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