./iterations/neb0_image06_iter244.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 {} {0.474441208714 0.233679371737 0.49218048076} O1 1 1
14 {} {0.32755311766 0.217608534862 0.564610229787} Si1 2 1
14 {} {0.607026277498 0.325177364141 0.463462318809} Si2 3 1
8 {} {0.579555218022 0.484639677227 0.491139237471} O2 4 1
8 {} {0.284781097314 0.351831481507 0.648004290473} O3 5 1
14 {} {0.28337019008 0.515102686057 0.65013794791} Si3 6 1
14 {} {0.489577805588 0.615291821688 0.449532973811} Si4 7 1
1 {} {0.335860408708 0.108711127414 0.663124717872} H1 8 1
1 {} {0.228010895904 0.186836530461 0.459475307556} H2 9 1
1 {} {0.648644926864 0.311832695831 0.321072135753} H3 10 1
1 {} {0.713945252648 0.285816913063 0.558770249725} H4 11 1
1 {} {0.146153776254 0.546724333751 0.702239703824} H5 12 1
1 {} {0.384122155511 0.573499618348 0.74230070655} H6 13 1
1 {} {0.389001231264 0.809881258063 0.52383807713} H7 14 1
1 {} {0.47414158107 0.637625121754 0.303517843405} H8 15 1
1 {} {0.592013966566 0.7179198666 0.491220697217} H10 16 1
8 {} {0.328638215278 0.577974747293 0.503049596801} O 17 1
1 {} {0.323248641449 0.772364831941 0.503381677672} 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