./iterations/neb0_image08_iter263.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 {} {0.472733514751 0.220339615215 0.493681456791} O1 1 1
14 {} {0.331806133176 0.216875460666 0.577728511139} Si1 2 1
14 {} {0.613429789694 0.294813932119 0.452911231983} Si2 3 1
8 {} {0.589253248205 0.454712434107 0.425428257376} O2 4 1
8 {} {0.315140966033 0.351458317085 0.670712854523} O3 5 1
14 {} {0.298893962516 0.514761420875 0.664236309021} Si3 6 1
14 {} {0.509230303745 0.596472636025 0.445679999853} Si4 7 1
1 {} {0.334130363854 0.0995487288908 0.668729140575} H1 8 1
1 {} {0.220832553833 0.209768296277 0.478619474956} H2 9 1
1 {} {0.663492191043 0.231982185657 0.327398134978} H3 10 1
1 {} {0.711353122363 0.279712938671 0.564809705972} H4 11 1
1 {} {0.155006380811 0.551763302461 0.658859493992} H5 12 1
1 {} {0.36728035669 0.570715949847 0.78405227693} H6 13 1
1 {} {0.313185931643 0.916200609967 0.476138531397} H7 14 1
1 {} {0.474072948616 0.651703148274 0.31232866448} H8 15 1
1 {} {0.596390780991 0.688407998825 0.523932530247} H10 16 1
8 {} {0.368134224097 0.572223419153 0.526058102304} O 17 1
1 {} {0.275719438873 0.851057488327 0.479753063741} 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