./iterations/neb0_image01_iter294.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 {} {0.460484748068 0.25968036525 0.480983570728} O1 1 1
14 {} {0.327368236754 0.246689125889 0.575309195487} Si1 2 1
14 {} {0.592703408567 0.340048921003 0.427236919092} Si2 3 1
8 {} {0.550371467783 0.479745216778 0.352839551429} O2 4 1
8 {} {0.322397864628 0.365312432209 0.687760629344} O3 5 1
14 {} {0.254682461578 0.509820722381 0.729645629545} Si3 6 1
14 {} {0.541205743852 0.643924436096 0.358933108164} Si4 7 1
1 {} {0.334758421841 0.116093408583 0.645420339568} H1 8 1
1 {} {0.207432849301 0.255289823316 0.488050294577} H2 9 1
1 {} {0.659679306143 0.253251108492 0.327864670465} H3 10 1
1 {} {0.681747093361 0.371587358004 0.54209698687} H4 11 1
1 {} {0.108057757343 0.492423420702 0.740607308042} H5 12 1
1 {} {0.317908421288 0.551367433465 0.85735634969} H6 13 1
1 {} {0.411012137387 0.687552081167 0.301635076513} H7 14 1
1 {} {0.65366300891 0.704174073873 0.281952204828} H8 15 1
1 {} {0.550092349145 0.690870157614 0.501088092239} H10 16 1
8 {} {0.277249176303 0.626238325411 0.614662614542} O 17 1
1 {} {0.359271476506 0.678449157854 0.617615333747} 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