./iterations/neb0_image03_iter225.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.456909391945 0.266445342031 0.490612381511} O1 1 1
14 {} {0.324016442 0.238052315751 0.581928773242} Si1 2 1
14 {} {0.582947436117 0.351060122009 0.429927906357} Si2 3 1
8 {} {0.533166006345 0.494552712234 0.369088845212} O2 4 1
8 {} {0.305033045672 0.351208428982 0.699662530929} O3 5 1
14 {} {0.257267522301 0.50402441123 0.737312012691} Si3 6 1
14 {} {0.56344037706 0.65645287441 0.362057562225} Si4 7 1
1 {} {0.340433244504 0.106330716632 0.649139933811} H1 8 1
1 {} {0.206406655109 0.239896986436 0.490192095814} H2 9 1
1 {} {0.641620122762 0.269911599815 0.3207082964} H3 10 1
1 {} {0.682885760873 0.376018521916 0.537383098872} H4 11 1
1 {} {0.108507670447 0.510427907205 0.736452225064} H5 12 1
1 {} {0.317076107411 0.536440916676 0.868671867307} H6 13 1
1 {} {0.436064033996 0.724130997713 0.326632468749} H7 14 1
1 {} {0.66437452658 0.683641481832 0.25562943542} H8 15 1
1 {} {0.614385790077 0.708342395653 0.491741046513} H10 16 1
8 {} {0.316319437817 0.616404904071 0.629854083319} O 17 1
1 {} {0.259232625992 0.639175428339 0.554063129844} 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