./iterations/neb0_image01_iter24.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.468136253975 0.242459974379 0.471579825503} O1 1 1
14 {} {0.328210468849 0.249845315159 0.557653060953} Si1 2 1
14 {} {0.600380644335 0.330886410005 0.431203516871} Si2 3 1
8 {} {0.554966575075 0.475966459543 0.367316608238} O2 4 1
8 {} {0.332737490078 0.379238742935 0.658996282481} O3 5 1
14 {} {0.267405260831 0.514801632517 0.725712137485} Si3 6 1
14 {} {0.52917200093 0.638845982837 0.37220143945} Si4 7 1
1 {} {0.317502192634 0.125257344871 0.638997748742} H1 8 1
1 {} {0.213804952486 0.262156783078 0.462423361015} H2 9 1
1 {} {0.67389491081 0.250409549385 0.329923117365} H3 10 1
1 {} {0.684704840955 0.350202141865 0.553229985202} H4 11 1
1 {} {0.12263966541 0.49046779333 0.746208694148} H5 12 1
1 {} {0.341613989594 0.534243631273 0.854135053528} H6 13 1
1 {} {0.387775892484 0.679495711472 0.340884779324} H7 14 1
1 {} {0.614363018229 0.704696324773 0.270274890628} H8 15 1
1 {} {0.559808884774 0.688453466 0.509534122044} H10 16 1
8 {} {0.271272549579 0.645727841225 0.624260898087} O 17 1
1 {} {0.341696543528 0.709362845183 0.616522469749} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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