./iterations/neb0_image07_iter231.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.475447301779 0.224758619438 0.497719419481} O1 1 1
14 {} {0.335721569562 0.214115481302 0.582582131901} Si1 2 1
14 {} {0.616163099485 0.298216077032 0.454065473048} Si2 3 1
8 {} {0.595649516172 0.458768047477 0.427125945082} O2 4 1
8 {} {0.310121241511 0.348946770856 0.674017184715} O3 5 1
14 {} {0.29118379957 0.510793607815 0.647605953099} Si3 6 1
14 {} {0.496451616329 0.589592449377 0.431720175418} Si4 7 1
1 {} {0.342731635283 0.0991202944345 0.675649278011} H1 8 1
1 {} {0.223531812712 0.199028861014 0.486098114171} H2 9 1
1 {} {0.658794097692 0.233113786553 0.327853995692} H3 10 1
1 {} {0.717213256124 0.285641325802 0.562706777127} H4 11 1
1 {} {0.147333212108 0.549896308281 0.645968413936} H5 12 1
1 {} {0.366700834349 0.579114154643 0.756350975823} H6 13 1
1 {} {0.340766945562 0.92855205192 0.506299915002} H7 14 1
1 {} {0.470236451482 0.633182831191 0.292267030254} H8 15 1
1 {} {0.559712125988 0.694177747115 0.516214783076} H10 16 1
8 {} {0.351215625539 0.552333328033 0.499738110542} O 17 1
1 {} {0.311111738675 0.8731660798 0.547074076834} 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
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
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 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 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