./iterations/neb0_image04_iter54.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.468230990948 0.226656354792 0.481781419196} O1 1 1
14 {} {0.330922293973 0.234736043838 0.57210616046} Si1 2 1
14 {} {0.587920160473 0.331846662591 0.438599115916} Si2 3 1
8 {} {0.521433663071 0.477317872822 0.399860485066} O2 4 1
8 {} {0.331329750943 0.370080481276 0.665823359638} O3 5 1
14 {} {0.277555450811 0.520123308518 0.700517088281} Si3 6 1
14 {} {0.521329483648 0.643544755157 0.405202399704} Si4 7 1
1 {} {0.331504337392 0.118964840882 0.665049295479} H1 8 1
1 {} {0.212844488629 0.23312150511 0.480607772614} H2 9 1
1 {} {0.654295918459 0.26886168369 0.320853282594} H3 10 1
1 {} {0.687110004596 0.345929319685 0.550462412651} H4 11 1
1 {} {0.1288007236 0.527014943351 0.703021939386} H5 12 1
1 {} {0.339072776501 0.563942438555 0.828201191321} H6 13 1
1 {} {0.395839600033 0.724042691781 0.398256895728} H7 14 1
1 {} {0.577340214004 0.685640909228 0.273596230988} H8 15 1
1 {} {0.598511277035 0.691667070393 0.524104715919} H10 16 1
8 {} {0.336203664979 0.611251190031 0.57787123359} O 17 1
1 {} {0.309841329898 0.697775896561 0.54514301056} 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