./iterations/neb0_image08_iter270.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 {} {0.473723372815 0.217414189104 0.49357978167} O1 1 1
14 {} {0.332794831736 0.216251231127 0.578244715082} Si1 2 1
14 {} {0.612946020717 0.29472210634 0.453384947217} Si2 3 1
8 {} {0.587778517879 0.454608649796 0.426943494969} O2 4 1
8 {} {0.315541817298 0.351999514702 0.669798916213} O3 5 1
14 {} {0.298414615894 0.515985814327 0.661723795689} Si3 6 1
14 {} {0.508515670987 0.596641950478 0.444597648227} Si4 7 1
1 {} {0.334430724251 0.10007747251 0.6714757532} H1 8 1
1 {} {0.221290635 0.20737988095 0.478982154871} H2 9 1
1 {} {0.663511336998 0.234023302186 0.327298197337} H3 10 1
1 {} {0.710906624943 0.277873545397 0.564798090559} H4 11 1
1 {} {0.154124238157 0.550953637625 0.658618011956} H5 12 1
1 {} {0.367997479344 0.572063653577 0.780682421766} H6 13 1
1 {} {0.314313626482 0.916743111963 0.474893505225} H7 14 1
1 {} {0.474149603919 0.6512635793 0.311552075649} H8 15 1
1 {} {0.594966564462 0.688312474982 0.522795573857} H10 16 1
8 {} {0.365109324999 0.574125789986 0.523984555864} O 17 1
1 {} {0.279571177585 0.852077973112 0.487704105018} 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