./iterations/neb0_image06_iter283.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 {} {0.468603336361 0.257345403727 0.486470435226} O1 1 1
14 {} {0.322154800362 0.227300730769 0.557127211904} Si1 2 1
14 {} {0.608220804576 0.342637319252 0.474206291467} Si2 3 1
8 {} {0.588175040111 0.493483076402 0.540828993282} O2 4 1
8 {} {0.245370202898 0.353877211591 0.630031148467} O3 5 1
14 {} {0.27108193902 0.513458793585 0.659559075425} Si3 6 1
14 {} {0.494263778065 0.610742325797 0.468574889052} Si4 7 1
1 {} {0.342984229319 0.128711888347 0.665826318981} H1 8 1
1 {} {0.23945667848 0.172766340488 0.445770741056} H2 9 1
1 {} {0.636603193774 0.361709378224 0.329742187008} H3 10 1
1 {} {0.718269162495 0.274900495186 0.547801582981} H4 11 1
1 {} {0.145682015629 0.571767366692 0.715473643877} H5 12 1
1 {} {0.378679546112 0.546299503246 0.755632289154} H6 13 1
1 {} {0.408912673446 0.77817469761 0.484589016977} H7 14 1
1 {} {0.47182662922 0.603724459996 0.323741893185} H8 15 1
1 {} {0.596921255536 0.722949466022 0.470419364515} H10 16 1
8 {} {0.330421740198 0.572181245359 0.518975515061} O 17 1
1 {} {0.342459081306 0.740488513442 0.456287789277} 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