./iterations/neb0_image02_iter170.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.464005818929 0.252325789985 0.489880254131} O1 1 1
14 {} {0.328513662412 0.239506838784 0.581422045833} Si1 2 1
14 {} {0.586433627339 0.343397529456 0.430104337816} Si2 3 1
8 {} {0.529114923101 0.485199769186 0.370268656796} O2 4 1
8 {} {0.319131471617 0.362265543187 0.690193674145} O3 5 1
14 {} {0.252008825491 0.508428197596 0.725471609422} Si3 6 1
14 {} {0.549588348372 0.64848703915 0.362771116324} Si4 7 1
1 {} {0.336879901897 0.111215230498 0.656267070684} H1 8 1
1 {} {0.210186134814 0.242090428315 0.49083514688} H2 9 1
1 {} {0.648040471928 0.266313632744 0.319029514573} H3 10 1
1 {} {0.684699226887 0.37215976943 0.538950049069} H4 11 1
1 {} {0.105834096231 0.491605191628 0.741235131665} H5 12 1
1 {} {0.318916411337 0.557417986778 0.849138901503} H6 13 1
1 {} {0.422002968335 0.712529509739 0.321257824936} H7 14 1
1 {} {0.657438095687 0.681825154082 0.265337183425} H8 15 1
1 {} {0.589360680377 0.701325681876 0.497110229165} H10 16 1
8 {} {0.267467057183 0.616331484222 0.601481535163} O 17 1
1 {} {0.34046436455 0.680093151457 0.60030387154} 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