iterations/neb0_image07_iter93.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.470587931966 0.221298931277 0.49006438083} O1 1 1
14 {} {0.331210855838 0.223384840659 0.577821993311} Si1 2 1
14 {} {0.600130780654 0.312487037873 0.445145178186} Si2 3 1
8 {} {0.55656888586 0.464420688948 0.402916743481} O2 4 1
8 {} {0.326813354632 0.353153964664 0.679886143285} O3 5 1
14 {} {0.298305841167 0.515544462085 0.677838862161} Si3 6 1
14 {} {0.503802093515 0.610858572976 0.453118765019} Si4 7 1
1 {} {0.326893915495 0.100306277246 0.661936217959} H1 8 1
1 {} {0.215819175458 0.230822495208 0.482606292076} H2 9 1
1 {} {0.659691860749 0.255714332162 0.322198079332} H3 10 1
1 {} {0.693970005003 0.320792850434 0.560295013083} H4 11 1
1 {} {0.152134074099 0.541113595967 0.667997434423} H5 12 1
1 {} {0.35489340431 0.569246146403 0.804099347484} H6 13 1
1 {} {0.351943911766 0.821682154569 0.426571362869} H7 14 1
1 {} {0.483491016837 0.682636955992 0.324086063024} H8 15 1
1 {} {0.60572082993 0.683427212364 0.535451619512} H10 16 1
8 {} {0.369732199143 0.586012644863 0.547006390184} O 17 1
1 {} {0.308375991792 0.779614802615 0.472018058178} 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