./iterations/neb0_image01_iter127.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.467077903433 0.245469698812 0.474362859369} O1 1 1
14 {} {0.328092175351 0.24996529185 0.561370386397} Si1 2 1
14 {} {0.598725495323 0.332858968209 0.429416958084} Si2 3 1
8 {} {0.554007488787 0.475813317271 0.362897579941} O2 4 1
8 {} {0.329858383903 0.379253577278 0.662276625777} O3 5 1
14 {} {0.261682220731 0.51440771807 0.726482928012} Si3 6 1
14 {} {0.532546097756 0.638807110133 0.370212955897} Si4 7 1
1 {} {0.321158778128 0.1259473016 0.642989649935} H1 8 1
1 {} {0.212811634821 0.259709149209 0.46762911406} H2 9 1
1 {} {0.670027344285 0.253645005419 0.326157602498} H3 10 1
1 {} {0.683443887113 0.359099625209 0.549248346377} H4 11 1
1 {} {0.116729537533 0.491728798892 0.748369872613} H5 12 1
1 {} {0.335776156283 0.542210454038 0.852551616164} H6 13 1
1 {} {0.391596125368 0.673270468619 0.336936227791} H7 14 1
1 {} {0.624619907272 0.705042420427 0.273793150385} H8 15 1
1 {} {0.563128443378 0.688650806938 0.508433353993} H10 16 1
8 {} {0.267657531502 0.643720141891 0.623834621429} O 17 1
1 {} {0.351146982863 0.692918108919 0.614094128013} 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
12 5 0 0
1 0 0 0
2 0 0 0
16 5 0 0
4 1 0 0
3 2 0 0
17 16 0 0
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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