iterations/neb0_image04_iter295.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 {} {0.469315491034 0.260671501481 0.490539286644} O1 1 1
14 {} {0.326825438721 0.232759396158 0.566490672632} Si1 2 1
14 {} {0.603374007563 0.346093599488 0.451093033754} Si2 3 1
8 {} {0.564751360726 0.505351567944 0.442394471516} O2 4 1
8 {} {0.281357602795 0.353847340306 0.665701491293} O3 5 1
14 {} {0.232026106738 0.507877384175 0.695504575874} Si3 6 1
14 {} {0.589955278738 0.664082933353 0.407044207222} Si4 7 1
1 {} {0.34353940072 0.111622424317 0.652333840859} H1 8 1
1 {} {0.225341050402 0.208816323728 0.457671034617} H2 9 1
1 {} {0.651679271205 0.296801464359 0.319347301146} H3 10 1
1 {} {0.706018239617 0.326028664289 0.55673248375} H4 11 1
1 {} {0.109484620211 0.500601018581 0.780983098007} H5 12 1
1 {} {0.342288435925 0.578725065311 0.76667041654} H6 13 1
1 {} {0.473958833774 0.743240355158 0.45668152736} H7 14 1
1 {} {0.602939563678 0.682928938339 0.259258528547} H8 15 1
1 {} {0.715427560108 0.710020885075 0.47347468224} H10 16 1
8 {} {0.198786285778 0.574827026337 0.54770190283} O 17 1
1 {} {0.17301737239 0.668221841618 0.541435807075} 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