iterations/neb0_image02_iter265.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.456940187871 0.266517798315 0.488839205372} O1 1 1
14 {} {0.326353791079 0.24065389591 0.583947498941} Si1 2 1
14 {} {0.583868900648 0.34968320781 0.427818719097} Si2 3 1
8 {} {0.533569094406 0.492964426779 0.365520188263} O2 4 1
8 {} {0.311057851138 0.356260485927 0.699131719036} O3 5 1
14 {} {0.242574514362 0.502556020217 0.73324344342} Si3 6 1
14 {} {0.563066751189 0.655018375269 0.356543202948} Si4 7 1
1 {} {0.345737093109 0.110459641359 0.652796930029} H1 8 1
1 {} {0.205189445363 0.238739493966 0.497748466998} H2 9 1
1 {} {0.641827489722 0.26808589224 0.318231311416} H3 10 1
1 {} {0.682188096318 0.376150507607 0.536846055777} H4 11 1
1 {} {0.096463293119 0.485393663912 0.750357020418} H5 12 1
1 {} {0.310958623269 0.553405916793 0.855235233311} H6 13 1
1 {} {0.437537950637 0.721547491298 0.311436276855} H7 14 1
1 {} {0.673817612015 0.682353597678 0.260647969288} H8 15 1
1 {} {0.602214301742 0.708125112857 0.490894728727} H10 16 1
8 {} {0.256104430144 0.609765257057 0.607763067574} O 17 1
1 {} {0.340616934949 0.654837383379 0.59405679737} 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