./iterations/neb0_image01_iter208.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 {} {0.463855073783 0.25648494742 0.477800604621} O1 1 1
14 {} {0.32732516003 0.251005169105 0.568362703383} Si1 2 1
14 {} {0.596988275827 0.336895301787 0.426538222996} Si2 3 1
8 {} {0.556411519375 0.476907572672 0.351092151749} O2 4 1
8 {} {0.323593310013 0.37460386938 0.676123170267} O3 5 1
14 {} {0.254955784348 0.512830732713 0.733332222287} Si3 6 1
14 {} {0.539015827595 0.640265287451 0.360927071723} Si4 7 1
1 {} {0.328599538753 0.123320616516 0.644150280498} H1 8 1
1 {} {0.210240750093 0.259447299405 0.47678537311} H2 9 1
1 {} {0.665711985468 0.250384435852 0.327782216841} H3 10 1
1 {} {0.683779777273 0.368475404156 0.543368569891} H4 11 1
1 {} {0.108658443333 0.494214376288 0.750717988539} H5 12 1
1 {} {0.324267363995 0.541912313467 0.86166973158} H6 13 1
1 {} {0.402991279522 0.67854385675 0.314063028554} H7 14 1
1 {} {0.642391164325 0.707326257607 0.277228534173} H8 15 1
1 {} {0.555060136572 0.685089839851 0.503411934766} H10 16 1
8 {} {0.269102817086 0.638463004949 0.627055290273} O 17 1
1 {} {0.357137700092 0.676347526295 0.610648788791} 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