./iterations/neb0_image01_iter143.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.466081294192 0.248942032045 0.475947067612} O1 1 1
14 {} {0.327505773889 0.25062976229 0.56408431337} Si1 2 1
14 {} {0.598130975361 0.334299758464 0.42806602697} Si2 3 1
8 {} {0.55497323369 0.476062253241 0.357838747161} O2 4 1
8 {} {0.327737422871 0.378691725512 0.666653795267} O3 5 1
14 {} {0.258326604116 0.514192300808 0.729533842517} Si3 6 1
14 {} {0.535578594266 0.639360434079 0.367088105408} Si4 7 1
1 {} {0.323674643349 0.124769531311 0.6439049118} H1 8 1
1 {} {0.211364472981 0.259964150071 0.47051671132} H2 9 1
1 {} {0.66872853237 0.252820685672 0.325864071229} H3 10 1
1 {} {0.683565996924 0.363788319246 0.546851023802} H4 11 1
1 {} {0.112456742967 0.492288507709 0.749937926761} H5 12 1
1 {} {0.332295488711 0.540574932945 0.855952126184} H6 13 1
1 {} {0.39512627493 0.672598747435 0.329885190258} H7 14 1
1 {} {0.631761329743 0.706358253591 0.274996277315} H8 15 1
1 {} {0.561324982768 0.688038487975 0.507008600467} H10 16 1
8 {} {0.267701426475 0.643730606695 0.626859708041} O 17 1
1 {} {0.353752230113 0.685407437416 0.610069509795} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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