iterations/neb0_image05_iter9.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 {} {0.469414968299 0.229376257221 0.483464610655} O1 1 1
14 {} {0.331429014302 0.229134113357 0.570125148578} Si1 2 1
14 {} {0.60330183185 0.310421575037 0.439420404674} Si2 3 1
8 {} {0.560390162124 0.462015340182 0.382032719301} O2 4 1
8 {} {0.331613310992 0.366327569694 0.668965918859} O3 5 1
14 {} {0.277868754453 0.518211592589 0.701282613156} Si3 6 1
14 {} {0.513276633875 0.620139037857 0.413263450661} Si4 7 1
1 {} {0.330371268425 0.115139693851 0.662451310155} H1 8 1
1 {} {0.215634294673 0.234749649197 0.479347046888} H2 9 1
1 {} {0.66707008077 0.237362525701 0.327293885915} H3 10 1
1 {} {0.694993133614 0.328066904418 0.555225459204} H4 11 1
1 {} {0.12726355842 0.508833040683 0.70730306836} H5 12 1
1 {} {0.344281558623 0.551705719972 0.832258950951} H6 13 1
1 {} {0.353831164399 0.790145883767 0.381976830711} H7 14 1
1 {} {0.553522577769 0.692564299623 0.285443493757} H8 15 1
1 {} {0.586342730893 0.678678745553 0.525956162299} H10 16 1
8 {} {0.326128324097 0.631568736007 0.575617562511} O 17 1
1 {} {0.323352778175 0.768077269237 0.539629361604} 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