./iterations/neb0_image05_iter21.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.469475173187 0.226052905475 0.482807153975} O1 1 1
14 {} {0.331773657595 0.232701059378 0.573665293343} Si1 2 1
14 {} {0.600246320545 0.31635629209 0.43828837505} Si2 3 1
8 {} {0.548588034098 0.469321078398 0.389926445041} O2 4 1
8 {} {0.331644500096 0.371762236769 0.666469012295} O3 5 1
14 {} {0.282738459543 0.527472850332 0.689929278258} Si3 6 1
14 {} {0.508845826688 0.63297307609 0.41551101541} Si4 7 1
1 {} {0.330726755594 0.112164310086 0.66325143574} H1 8 1
1 {} {0.214802332552 0.233053344369 0.479106178528} H2 9 1
1 {} {0.666523775448 0.238992877334 0.326971719949} H3 10 1
1 {} {0.695157845174 0.328045338657 0.554940553955} H4 11 1
1 {} {0.130829951955 0.513645449477 0.706026195677} H5 12 1
1 {} {0.341413466519 0.554547685583 0.828440584384} H6 13 1
1 {} {0.357892290405 0.78262679733 0.408190261363} H7 14 1
1 {} {0.547180005767 0.687056463543 0.285460250989} H8 15 1
1 {} {0.589611757769 0.678557842495 0.531982738548} H10 16 1
8 {} {0.334446950676 0.6361644729 0.569986654042} O 17 1
1 {} {0.328189038411 0.731023875606 0.52010484538} 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