iterations/neb0_image05_iter146.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 {} {0.473012943606 0.230899773679 0.482463416439} O1 1 1
14 {} {0.333053308696 0.226462939714 0.56712468127} Si1 2 1
14 {} {0.595986905032 0.335562894546 0.454217848064} Si2 3 1
8 {} {0.535736356515 0.488649803799 0.462220121458} O2 4 1
8 {} {0.309015059173 0.364533027294 0.654284210888} O3 5 1
14 {} {0.266188543102 0.520907018055 0.674101526466} Si3 6 1
14 {} {0.533955486947 0.652545793598 0.433667871973} Si4 7 1
1 {} {0.33277932131 0.110308451599 0.663177762201} H1 8 1
1 {} {0.222891888616 0.209717016321 0.467564203288} H2 9 1
1 {} {0.651140149154 0.301140622158 0.320494322433} H3 10 1
1 {} {0.699818190391 0.321603365749 0.559858323229} H4 11 1
1 {} {0.126379450094 0.530342773671 0.727262834956} H5 12 1
1 {} {0.371216035188 0.586595973736 0.760445694359} H6 13 1
1 {} {0.438076298129 0.763299914621 0.48867928074} H7 14 1
1 {} {0.518503663172 0.660539431258 0.285427707356} H8 15 1
1 {} {0.660483312462 0.703412330958 0.49760813311} H10 16 1
8 {} {0.267104998018 0.584496742117 0.518893664404} O 17 1
1 {} {0.274744124955 0.681500043853 0.513566479463} 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