iterations/neb0_image05_iter63.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 {} {0.46862434369 0.221988493286 0.482533662444} O1 1 1
14 {} {0.331498132711 0.229263482076 0.573077368719} Si1 2 1
14 {} {0.589637000554 0.328154160674 0.442646532667} Si2 3 1
8 {} {0.525639658151 0.475920774201 0.413456944808} O2 4 1
8 {} {0.330694398509 0.362302966769 0.670924055968} O3 5 1
14 {} {0.287571163708 0.51789439767 0.687751565034} Si3 6 1
14 {} {0.503557049805 0.641792182028 0.431510931985} Si4 7 1
1 {} {0.329389282979 0.11207880275 0.664461083099} H1 8 1
1 {} {0.213339858682 0.232747062591 0.480732975059} H2 9 1
1 {} {0.654114783414 0.272130084316 0.320053002817} H3 10 1
1 {} {0.688886148823 0.340531809487 0.555133122799} H4 11 1
1 {} {0.142827987996 0.537412567298 0.683805376934} H5 12 1
1 {} {0.345615388026 0.569778857977 0.811675433197} H6 13 1
1 {} {0.393745092909 0.76254500885 0.424534271122} H7 14 1
1 {} {0.531339302604 0.680224906252 0.290604342069} H8 15 1
1 {} {0.599040997626 0.69579546649 0.533061800011} H10 16 1
8 {} {0.347229499207 0.59944326857 0.554696307495} O 17 1
1 {} {0.327336017735 0.692513661834 0.510399203252} 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