./iterations/neb0_image08_iter23.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471160782999 0.219726677331 0.489279005599} O1 1 1
14 {} {0.334396195963 0.223468585897 0.581603263988} Si1 2 1
14 {} {0.601795664256 0.306523597569 0.442023165837} Si2 3 1
8 {} {0.553705103265 0.457942045232 0.398629569977} O2 4 1
8 {} {0.329829592784 0.359394491939 0.672365362637} O3 5 1
14 {} {0.294029947027 0.51889572309 0.674600833602} Si3 6 1
14 {} {0.505070085113 0.605720107448 0.446449261049} Si4 7 1
1 {} {0.337131257072 0.106837864648 0.674852414923} H1 8 1
1 {} {0.216512463286 0.218889927644 0.488931382446} H2 9 1
1 {} {0.662171965292 0.23293669169 0.326514520882} H3 10 1
1 {} {0.699572293259 0.316083353317 0.554973736923} H4 11 1
1 {} {0.145812437854 0.528000677579 0.677520722304} H5 12 1
1 {} {0.34422499922 0.566215768369 0.805693771997} H6 13 1
1 {} {0.330650293906 0.843150509267 0.414322020833} H7 14 1
1 {} {0.4993472357 0.677097166081 0.319355327256} H8 15 1
1 {} {0.602381487536 0.671013006001 0.533749206831} H10 16 1
8 {} {0.36508351535 0.590418711424 0.541967453774} O 17 1
1 {} {0.317210820861 0.830203062907 0.488226988096} 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