./iterations/neb0_image02_iter117.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 {} {0.467860605553 0.239666540069 0.480392602672} O1 1 1
14 {} {0.329692982996 0.242617386325 0.569295570059} Si1 2 1
14 {} {0.593251386476 0.334101877661 0.43186807352} Si2 3 1
8 {} {0.538082453438 0.477205570495 0.374048980421} O2 4 1
8 {} {0.328481211986 0.372852628543 0.668998757902} O3 5 1
14 {} {0.262629092803 0.515421528981 0.717344052608} Si3 6 1
14 {} {0.535139298055 0.641878519121 0.374929080442} Si4 7 1
1 {} {0.326931072266 0.119022223103 0.652484972313} H1 8 1
1 {} {0.212740653735 0.247472761663 0.47706107735} H2 9 1
1 {} {0.660608165072 0.26115915012 0.321721393246} H3 10 1
1 {} {0.684433087741 0.358308625918 0.547496389907} H4 11 1
1 {} {0.117498204132 0.495862088466 0.738105304837} H5 12 1
1 {} {0.334103531506 0.55682025347 0.84119236082} H6 13 1
1 {} {0.396720044888 0.690415653032 0.348026742099} H7 14 1
1 {} {0.62708033239 0.693370282079 0.269488884215} H8 15 1
1 {} {0.579665032944 0.692989853237 0.508461641478} H10 16 1
8 {} {0.27570720005 0.631278659242 0.599421698194} O 17 1
1 {} {0.339461755349 0.702074384221 0.610720439073} 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