./iterations/neb0_image09_iter138.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472093342611 0.215427629546 0.494330119407} O1 1 1
14 {} {0.334472568349 0.215965848791 0.584099070179} Si1 2 1
14 {} {0.604146057095 0.299283249351 0.444304395027} Si2 3 1
8 {} {0.564359135591 0.452582369918 0.400091499369} O2 4 1
8 {} {0.325992130585 0.351568730723 0.677719966651} O3 5 1
14 {} {0.298124871888 0.513642809026 0.67165660915} Si3 6 1
14 {} {0.508651187591 0.598399871533 0.451905088368} Si4 7 1
1 {} {0.337683586069 0.0986787582559 0.674787395654} H1 8 1
1 {} {0.217728525653 0.211564043239 0.491549675545} H2 9 1
1 {} {0.659136389253 0.229962007752 0.325448979022} H3 10 1
1 {} {0.702754233561 0.306028892434 0.555712127031} H4 11 1
1 {} {0.152555149271 0.539960157312 0.656731650569} H5 12 1
1 {} {0.353289954119 0.572141335596 0.796652380888} H6 13 1
1 {} {0.321434834422 0.890446045571 0.418915424515} H7 14 1
1 {} {0.473910813167 0.677409985435 0.331490464968} H8 15 1
1 {} {0.612926151693 0.66479968276 0.535507037523} H10 16 1
8 {} {0.372192415397 0.580953268474 0.541232738341} O 17 1
1 {} {0.298634790017 0.853703270292 0.478923274649} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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