./iterations/neb0_image05_iter108.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.470434589129 0.227596267407 0.490880953765} O1 1 1
14 {} {0.330876608158 0.22350164628 0.573379046962} Si1 2 1
14 {} {0.591844430676 0.3326533889 0.44890234904} Si2 3 1
8 {} {0.532262130569 0.481829001132 0.424798436271} O2 4 1
8 {} {0.324363220536 0.356698687275 0.672113081292} O3 5 1
14 {} {0.286660830683 0.51421974832 0.678604641181} Si3 6 1
14 {} {0.507296416002 0.650525940309 0.428481681351} Si4 7 1
1 {} {0.328227448371 0.102731278929 0.658791723587} H1 8 1
1 {} {0.213845268126 0.227395658963 0.482259747733} H2 9 1
1 {} {0.648753129982 0.278539399994 0.322356453357} H3 10 1
1 {} {0.694514531742 0.328188045592 0.559639911732} H4 11 1
1 {} {0.139841279596 0.536697123995 0.680786415927} H5 12 1
1 {} {0.359525262656 0.576310265508 0.791742852467} H6 13 1
1 {} {0.411167214402 0.777169177237 0.438738901401} H7 14 1
1 {} {0.524621823183 0.675532597947 0.2817017741} H8 15 1
1 {} {0.606206237336 0.698301857099 0.52899227599} H10 16 1
8 {} {0.334973125722 0.595488382781 0.536412322972} O 17 1
1 {} {0.304672532561 0.68913945187 0.532475435355} 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