./iterations/neb0_image03_iter288.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 {} {0.458443004086 0.26031539878 0.480772780075} O1 1 1
14 {} {0.32489796227 0.241537584017 0.574673457119} Si1 2 1
14 {} {0.590375629568 0.344050859632 0.431997799333} Si2 3 1
8 {} {0.545930158074 0.491013677907 0.373943087961} O2 4 1
8 {} {0.306077941951 0.365018583504 0.679325241804} O3 5 1
14 {} {0.250785640911 0.511573856875 0.730434114536} Si3 6 1
14 {} {0.563978876797 0.655291837579 0.373592019722} Si4 7 1
1 {} {0.341326116824 0.115431890875 0.652200115263} H1 8 1
1 {} {0.208013037082 0.23503323305 0.481703184236} H2 9 1
1 {} {0.653480857826 0.268245458419 0.320655668132} H3 10 1
1 {} {0.68481995169 0.360941185705 0.547267990945} H4 11 1
1 {} {0.103891378473 0.499079153201 0.751304884852} H5 12 1
1 {} {0.320890642354 0.549179770926 0.855366636507} H6 13 1
1 {} {0.426770104756 0.716198989851 0.369220649738} H7 14 1
1 {} {0.639389116039 0.697213411374 0.251214562562} H8 15 1
1 {} {0.634838189022 0.69881815968 0.49805441644} H10 16 1
8 {} {0.290698086443 0.632345287525 0.625814035924} O 17 1
1 {} {0.265479362707 0.631229647625 0.533516942387} 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