iterations/neb0_image08_iter204.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 {} {0.471395024513 0.226904673845 0.493142769099} O1 1 1
14 {} {0.330133015617 0.219590549931 0.576606731109} Si1 2 1
14 {} {0.612648773857 0.298431957425 0.450322525508} Si2 3 1
8 {} {0.590742697518 0.457329379276 0.414335337386} O2 4 1
8 {} {0.313718490153 0.348507718738 0.677911525052} O3 5 1
14 {} {0.300290944382 0.512549195859 0.671383710248} Si3 6 1
14 {} {0.512493354475 0.597439433025 0.449292023021} Si4 7 1
1 {} {0.331251322535 0.0967577846262 0.660221099914} H1 8 1
1 {} {0.218449445649 0.219716781254 0.477874865612} H2 9 1
1 {} {0.663547602548 0.230849770805 0.32815883239} H3 10 1
1 {} {0.708721322936 0.289106889763 0.563830862917} H4 11 1
1 {} {0.156925160686 0.551206562246 0.660863383086} H5 12 1
1 {} {0.364480764491 0.568347423042 0.79362850255} H6 13 1
1 {} {0.313325190936 0.901315743418 0.471125155258} H7 14 1
1 {} {0.47097528891 0.658820629226 0.320476645394} H8 15 1
1 {} {0.603357300376 0.685745792207 0.52839939162} H10 16 1
8 {} {0.376133813161 0.568882257149 0.537077498739} O 17 1
1 {} {0.271496746085 0.841015323335 0.456406899766} 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
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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