./neb0_image03_initial.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.468414777717 0.237843111243 0.477641142368} O1 1 1
14 {} {0.329251954481 0.243564004436 0.564390627001} Si1 2 1
14 {} {0.603371237275 0.320939881927 0.435032633173} Si2 3 1
8 {} {0.565633636086 0.467556446954 0.373206389057} O2 4 1
8 {} {0.32919700873 0.374809091984 0.661990859605} O3 5 1
14 {} {0.27191841978 0.510790346945 0.71576664167} Si3 6 1
14 {} {0.526194017002 0.62453321445 0.388158578585} Si4 7 1
1 {} {0.322912612057 0.122693482879 0.64918145323} H1 8 1
1 {} {0.215152733405 0.251034845981 0.470212830763} H2 9 1
1 {} {0.671289590639 0.243402741759 0.329349382888} H3 10 1
1 {} {0.689193036102 0.339575675898 0.554476341593} H4 11 1
1 {} {0.127446886825 0.497599321079 0.727555138957} H5 12 1
1 {} {0.342341944633 0.540332009478 0.841109669894} H6 13 1
1 {} {0.368514859537 0.740553258391 0.348622708933} H7 14 1
1 {} {0.582435490518 0.696332860858 0.285901948164} H8 15 1
1 {} {0.570380020782 0.683734271105 0.510036341127} H10 16 1
8 {} {0.294923115702 0.628185475919 0.61504064543} O 17 1
1 {} {0.331514798729 0.749037918715 0.583384667562} 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