iterations/neb0_image08_iter186.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 {} {0.471016211968 0.22782488336 0.493231487249} O1 1 1
14 {} {0.330019985141 0.220442086073 0.57663413778} Si1 2 1
14 {} {0.611927911386 0.299557656063 0.449989485481} Si2 3 1
8 {} {0.589206636923 0.457913738954 0.412546862122} O2 4 1
8 {} {0.313860173148 0.348012399955 0.679488153943} O3 5 1
14 {} {0.300605577537 0.512069221206 0.672002729784} Si3 6 1
14 {} {0.512544043997 0.59796110554 0.449904878431} Si4 7 1
1 {} {0.330965232475 0.09742817531 0.659190488589} H1 8 1
1 {} {0.218311551196 0.221498613982 0.478149334025} H2 9 1
1 {} {0.66343781264 0.231052686956 0.328807759395} H3 10 1
1 {} {0.708049878209 0.290856101533 0.563382414979} H4 11 1
1 {} {0.157282004385 0.549758149954 0.661840804683} H5 12 1
1 {} {0.363259743088 0.567906368942 0.794477577557} H6 13 1
1 {} {0.314952795379 0.897164018364 0.468805051734} H7 14 1
1 {} {0.470380533422 0.662584990653 0.323576324001} H8 15 1
1 {} {0.604974305378 0.684507437531 0.527703184529} H10 16 1
8 {} {0.377271011328 0.568619975653 0.538452485902} O 17 1
1 {} {0.272020854258 0.837360258989 0.452874630009} 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