./iterations/neb0_image01_iter34.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 {} {0.46766845632 0.241518367002 0.472150288516} O1 1 1
14 {} {0.328469379967 0.249666379032 0.558758292281} Si1 2 1
14 {} {0.598837952186 0.331705043918 0.431071115152} Si2 3 1
8 {} {0.551618030524 0.475579391782 0.36861805989} O2 4 1
8 {} {0.333682965067 0.379469335749 0.658536133573} O3 5 1
14 {} {0.267099149965 0.51505929912 0.723805367315} Si3 6 1
14 {} {0.529829621837 0.639088358575 0.373019051831} Si4 7 1
1 {} {0.318426738971 0.125062034432 0.639530671835} H1 8 1
1 {} {0.214304535208 0.260584007578 0.463908616553} H2 9 1
1 {} {0.672467428833 0.253030884046 0.329027769265} H3 10 1
1 {} {0.683930651237 0.351553197604 0.551708633651} H4 11 1
1 {} {0.12270524504 0.492197806831 0.745329234051} H5 12 1
1 {} {0.341268966178 0.538169766922 0.850886338409} H6 13 1
1 {} {0.388305969904 0.674455890808 0.344663155092} H7 14 1
1 {} {0.616466011271 0.704785131549 0.269928856446} H8 15 1
1 {} {0.56157195079 0.688808471218 0.511287547938} H10 16 1
8 {} {0.269622166878 0.644227633821 0.621072959565} O 17 1
1 {} {0.343810918115 0.70755694539 0.617755895959} 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