./iterations/neb0_image04_iter137.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.465939755108 0.242622871794 0.486986507396} O1 1 1
14 {} {0.326410850014 0.22837481551 0.574709797502} Si1 2 1
14 {} {0.586599618981 0.344735172678 0.440554212269} Si2 3 1
8 {} {0.528379951265 0.493401319908 0.410505117916} O2 4 1
8 {} {0.311545166861 0.351908061403 0.680437758749} O3 5 1
14 {} {0.271404554604 0.510265465497 0.702181880061} Si3 6 1
14 {} {0.539812641411 0.657124677615 0.402227250807} Si4 7 1
1 {} {0.332219864754 0.102742684549 0.655110625987} H1 8 1
1 {} {0.210887474328 0.227169695299 0.480827118123} H2 9 1
1 {} {0.64570260383 0.280777228549 0.318822053654} H3 10 1
1 {} {0.687699949635 0.353494951458 0.550020179597} H4 11 1
1 {} {0.123656565029 0.525818919784 0.710421001595} H5 12 1
1 {} {0.340687737312 0.556298559324 0.825086342246} H6 13 1
1 {} {0.41205798189 0.734571153563 0.400973557} H7 14 1
1 {} {0.597408311444 0.686946089905 0.270289125311} H8 15 1
1 {} {0.628131757883 0.705327556361 0.510749998974} H10 16 1
8 {} {0.326878047428 0.598784609627 0.574180926736} O 17 1
1 {} {0.274663228269 0.672154070345 0.536974558884} 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
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
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 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 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