iterations/neb0_image02_iter61.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.468279927439 0.236249248148 0.475409260359} O1 1 1
14 {} {0.329563484587 0.244320695509 0.563312659098} Si1 2 1
14 {} {0.595847980395 0.330618681452 0.431905754475} Si2 3 1
8 {} {0.544013327715 0.474722345434 0.374249208309} O2 4 1
8 {} {0.33248805429 0.376238599943 0.661173119673} O3 5 1
14 {} {0.266922270282 0.516883947868 0.715322308013} Si3 6 1
14 {} {0.528397513506 0.63825685312 0.380250073573} Si4 7 1
1 {} {0.322974613662 0.122680598982 0.648997636868} H1 8 1
1 {} {0.21295695316 0.252341414667 0.470479589363} H2 9 1
1 {} {0.666529665626 0.259989467018 0.322259955753} H3 10 1
1 {} {0.682987404216 0.354400769089 0.550494845283} H4 11 1
1 {} {0.12130964024 0.497404507443 0.737265866115} H5 12 1
1 {} {0.340546580706 0.555110589644 0.838849825042} H6 13 1
1 {} {0.387055769242 0.676961808245 0.357615940486} H7 14 1
1 {} {0.614481722029 0.69831289787 0.274407640329} H8 15 1
1 {} {0.575956231135 0.69090435026 0.512692271406} H10 16 1
8 {} {0.281509880337 0.636213106249 0.600422095752} O 17 1
1 {} {0.338265113309 0.710908078624 0.615949936854} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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