./iterations/neb0_image01_iter221.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 {} {0.463554181869 0.257009959457 0.478127335059} O1 1 1
14 {} {0.327112710678 0.250611238123 0.569113825822} Si1 2 1
14 {} {0.596872796451 0.337262173253 0.426378212791} Si2 3 1
8 {} {0.556004884167 0.477193598145 0.350697964681} O2 4 1
8 {} {0.323317829488 0.373383282452 0.677359744519} O3 5 1
14 {} {0.254699509427 0.512809940194 0.733294844767} Si3 6 1
14 {} {0.539222723814 0.640616508637 0.360490697648} Si4 7 1
1 {} {0.329253930159 0.122263235708 0.644300010553} H1 8 1
1 {} {0.209811943028 0.259505281982 0.477547366854} H2 9 1
1 {} {0.665387258065 0.250370540107 0.32745559946} H3 10 1
1 {} {0.683695594419 0.36904801013 0.543401501058} H4 11 1
1 {} {0.108210972016 0.4940992152 0.750035218127} H5 12 1
1 {} {0.323889445769 0.542655516311 0.861709122124} H6 13 1
1 {} {0.403735154982 0.678890249486 0.312562321243} H7 14 1
1 {} {0.643873537674 0.707180783445 0.27767282839} H8 15 1
1 {} {0.554460749402 0.685463091465 0.503080919392} H10 16 1
8 {} {0.26954739096 0.63762582373 0.626182762959} O 17 1
1 {} {0.357435299625 0.676529348032 0.611647604712} 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