./iterations/neb0_image08_iter66.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 {} {0.47174077462 0.2165461315 0.488187363477} O1 1 1
14 {} {0.33430933563 0.22101443295 0.577944522891} Si1 2 1
14 {} {0.601832666337 0.306765218651 0.443796470397} Si2 3 1
8 {} {0.556355508366 0.4584790757 0.401917928038} O2 4 1
8 {} {0.331240775882 0.354833666703 0.674251284715} O3 5 1
14 {} {0.298038932519 0.515613028444 0.674816265831} Si3 6 1
14 {} {0.503241136515 0.604711124553 0.453937444432} Si4 7 1
1 {} {0.331418030483 0.101958084047 0.666368903133} H1 8 1
1 {} {0.217604545212 0.224778150295 0.485711796837} H2 9 1
1 {} {0.662735157726 0.243623571041 0.324290018271} H3 10 1
1 {} {0.696429724404 0.317635640184 0.558161095472} H4 11 1
1 {} {0.151547436614 0.53783037949 0.664940796742} H5 12 1
1 {} {0.355516010994 0.573748015384 0.798941540481} H6 13 1
1 {} {0.333214706863 0.836892480082 0.415387821836} H7 14 1
1 {} {0.473751727257 0.683573796739 0.332308607826} H8 15 1
1 {} {0.606049348088 0.670281314233 0.539563232508} H10 16 1
8 {} {0.366463043178 0.586687539887 0.544001692049} O 17 1
1 {} {0.318597262154 0.817546322091 0.486531208002} 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