iterations/neb0_image08_iter139.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 {} {0.470945352885 0.223456024986 0.491766364859} O1 1 1
14 {} {0.330767005142 0.220660787041 0.577058974748} Si1 2 1
14 {} {0.607388831648 0.304128275405 0.447032146563} Si2 3 1
8 {} {0.575877108854 0.459928858943 0.405375638091} O2 4 1
8 {} {0.322744840556 0.349486508712 0.679565911885} O3 5 1
14 {} {0.30151040937 0.512612229035 0.674211419649} Si3 6 1
14 {} {0.509548381136 0.60260857904 0.453120805566} Si4 7 1
1 {} {0.328025995495 0.0964457994683 0.657877761001} H1 8 1
1 {} {0.216637046037 0.225217402183 0.4813747462} H2 9 1
1 {} {0.662223464944 0.233701019918 0.328791720371} H3 10 1
1 {} {0.703218313129 0.305034305632 0.560724483603} H4 11 1
1 {} {0.156767712979 0.544457146799 0.661439860367} H5 12 1
1 {} {0.36063888798 0.568486954881 0.79866629138} H6 13 1
1 {} {0.328684555155 0.873363194261 0.440117185271} H7 14 1
1 {} {0.467603869528 0.675835920895 0.33142715034} H8 15 1
1 {} {0.608124436597 0.679951445975 0.534173136044} H10 16 1
8 {} {0.37545937201 0.577720168676 0.543409675344} O 17 1
1 {} {0.283920615156 0.819423327103 0.464924609548} 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