./iterations/neb0_image03_iter165.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 {} {0.459827921007 0.259392690193 0.493261428145} O1 1 1
14 {} {0.325000592 0.234911810659 0.582435183572} Si1 2 1
14 {} {0.582275788035 0.348956100715 0.432481324611} Si2 3 1
8 {} {0.528028955299 0.492272099395 0.37405059701} O2 4 1
8 {} {0.309262497056 0.350090965194 0.698821178859} O3 5 1
14 {} {0.263211886815 0.505103849281 0.729774624186} Si3 6 1
14 {} {0.556476911366 0.654326846294 0.365873931526} Si4 7 1
1 {} {0.337817771798 0.102514150506 0.648381776371} H1 8 1
1 {} {0.207215805808 0.239864392523 0.491971145792} H2 9 1
1 {} {0.640724022156 0.272219735406 0.319517097674} H3 10 1
1 {} {0.6839723238 0.374148249222 0.53884970634} H4 11 1
1 {} {0.114044257457 0.516849502186 0.725965173143} H5 12 1
1 {} {0.32130068336 0.538432977795 0.862840511464} H6 13 1
1 {} {0.428651956533 0.722802765213 0.328660836745} H7 14 1
1 {} {0.659096541783 0.680942622769 0.259934431329} H8 15 1
1 {} {0.607539111756 0.708231624248 0.495121145896} H10 16 1
8 {} {0.324419922344 0.606807170672 0.615049017386} O 17 1
1 {} {0.261219251049 0.664650502425 0.568068691012} 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