./iterations/neb0_image06_iter201.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 {} {0.474968494837 0.225591003291 0.486187108188} O1 1 1
14 {} {0.33114445095 0.216313958153 0.566441243099} Si1 2 1
14 {} {0.608590576201 0.318044157124 0.458065338966} Si2 3 1
8 {} {0.571516280947 0.476229663247 0.468028733066} O2 4 1
8 {} {0.302137727348 0.35339144914 0.652401318782} O3 5 1
14 {} {0.286188014585 0.515533462782 0.653219556124} Si3 6 1
14 {} {0.486041009831 0.614105054481 0.447775439522} Si4 7 1
1 {} {0.335242458608 0.102459175209 0.663330149249} H1 8 1
1 {} {0.223953329149 0.200269320092 0.463994263328} H2 9 1
1 {} {0.654480363525 0.290732851352 0.319374442593} H3 10 1
1 {} {0.712660560341 0.293828245689 0.56309723084} H4 11 1
1 {} {0.145648420902 0.547838593877 0.692381828561} H5 12 1
1 {} {0.381359640418 0.577934496335 0.748667909918} H6 13 1
1 {} {0.389048020175 0.811242172911 0.529754249356} H7 14 1
1 {} {0.468952649934 0.656715057142 0.30514590995} H8 15 1
1 {} {0.585299395371 0.711791946271 0.504485035849} H10 16 1
8 {} {0.33119389646 0.576752759496 0.505437021425} O 17 1
1 {} {0.321660642075 0.783744519087 0.503271315809} 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