./iterations/neb0_image06_iter61.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.469108043776 0.21970320726 0.483371470049} O1 1 1
14 {} {0.331230252018 0.227294761444 0.573566036061} Si1 2 1
14 {} {0.594313165235 0.319331559691 0.443119594062} Si2 3 1
8 {} {0.538981563992 0.468126740371 0.405959659058} O2 4 1
8 {} {0.330943987019 0.358330130474 0.673610267295} O3 5 1
14 {} {0.294894384126 0.518034655008 0.683087611246} Si3 6 1
14 {} {0.497866440818 0.620065104002 0.451342243815} Si4 7 1
1 {} {0.329187865615 0.108962268683 0.663264844989} H1 8 1
1 {} {0.213826612605 0.232602564431 0.480179018898} H2 9 1
1 {} {0.657669614771 0.263538598302 0.321212629712} H3 10 1
1 {} {0.690951107226 0.335180015122 0.556020021767} H4 11 1
1 {} {0.147019111569 0.538484513668 0.678440678929} H5 12 1
1 {} {0.348740063084 0.571118929067 0.811152881547} H6 13 1
1 {} {0.368449019724 0.784225260714 0.425103087929} H7 14 1
1 {} {0.503833099895 0.682658407234 0.315117641225} H8 15 1
1 {} {0.599430989188 0.690338774757 0.535864204425} H10 16 1
8 {} {0.365534543537 0.591713931284 0.554456444968} O 17 1
1 {} {0.328106252725 0.742808530169 0.476189647478} 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