iterations/neb0_image06_iter68.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.469036453705 0.220590818135 0.484817736368} O1 1 1
14 {} {0.330520978881 0.226706249253 0.575944313948} Si1 2 1
14 {} {0.593628745739 0.318977881973 0.443427982985} Si2 3 1
8 {} {0.540239722206 0.468350537588 0.407092934231} O2 4 1
8 {} {0.328728149749 0.357182614017 0.676118927824} O3 5 1
14 {} {0.295199194428 0.517535233089 0.681941122383} Si3 6 1
14 {} {0.498573914921 0.61939698146 0.451510615621} Si4 7 1
1 {} {0.328575325924 0.107329977753 0.663406826057} H1 8 1
1 {} {0.215081997893 0.231845326738 0.481661986945} H2 9 1
1 {} {0.656903306106 0.266504074478 0.319166271325} H3 10 1
1 {} {0.690090222866 0.335051304967 0.557014608488} H4 11 1
1 {} {0.148285216482 0.539132170486 0.676141678617} H5 12 1
1 {} {0.349186490351 0.570424352406 0.80956922396} H6 13 1
1 {} {0.369413801345 0.784250201277 0.42537945425} H7 14 1
1 {} {0.503974314635 0.682259072972 0.313833530732} H8 15 1
1 {} {0.599115484616 0.69170162006 0.5341639735} H10 16 1
8 {} {0.365365819883 0.590473571345 0.552237090107} O 17 1
1 {} {0.328166968963 0.744805961608 0.477629706557} 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