iterations/neb0_image02_iter64.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 {} {0.468319339105 0.236280101082 0.475584206371} O1 1 1
14 {} {0.329638662586 0.244105015259 0.563455807063} Si1 2 1
14 {} {0.595806237173 0.330652669263 0.431804565736} Si2 3 1
8 {} {0.543741477749 0.474700403155 0.374336149584} O2 4 1
8 {} {0.331984171191 0.376067150838 0.661439063578} O3 5 1
14 {} {0.266834217212 0.517179006932 0.714887092335} Si3 6 1
14 {} {0.528691856089 0.638249901135 0.380285827481} Si4 7 1
1 {} {0.323046184624 0.122675523954 0.649271586669} H1 8 1
1 {} {0.213001174452 0.252159279991 0.470840497616} H2 9 1
1 {} {0.666392296773 0.260243863767 0.32194234911} H3 10 1
1 {} {0.682800194372 0.354605375896 0.550427705939} H4 11 1
1 {} {0.121257563179 0.497128803459 0.737203867005} H5 12 1
1 {} {0.340428266033 0.555843154883 0.838626483467} H6 13 1
1 {} {0.38702251505 0.677105366065 0.357471867339} H7 14 1
1 {} {0.614820556885 0.698073320655 0.274505241277} H8 15 1
1 {} {0.576483930456 0.691083602471 0.512543951068} H10 16 1
8 {} {0.280918015096 0.635164384246 0.600346717109} O 17 1
1 {} {0.338899469823 0.711201039536 0.616085006244} 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