iterations/neb0_image09_iter153.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472028258226 0.216805002081 0.494347276331} O1 1 1
14 {} {0.333959796653 0.215702810737 0.583506751363} Si1 2 1
14 {} {0.604806860718 0.299027549508 0.444464264123} Si2 3 1
8 {} {0.566226752149 0.452892505371 0.400250929582} O2 4 1
8 {} {0.324786541424 0.350181216747 0.677747724409} O3 5 1
14 {} {0.298764153951 0.512634716509 0.672601213225} Si3 6 1
14 {} {0.509553094562 0.598260233548 0.451387274062} Si4 7 1
1 {} {0.336503120284 0.0967943868906 0.672438290228} H1 8 1
1 {} {0.218337811145 0.212726039769 0.489648108719} H2 9 1
1 {} {0.659558952223 0.229299598365 0.325392419751} H3 10 1
1 {} {0.703693584206 0.303543405484 0.556069159459} H4 11 1
1 {} {0.15364069469 0.5407380056 0.656970675411} H5 12 1
1 {} {0.35495306681 0.569985084334 0.797840577161} H6 13 1
1 {} {0.320371310791 0.89760331435 0.421758553172} H7 14 1
1 {} {0.472699626758 0.677897459874 0.332341392946} H8 15 1
1 {} {0.613728332398 0.664344919353 0.534600797063} H10 16 1
8 {} {0.373113793729 0.579419095912 0.542574740672} O 17 1
1 {} {0.29336037117 0.854662584225 0.47711764831} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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