./iterations/neb0_image07_iter120.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.469966655856 0.225506726217 0.490909928374} O1 1 1
14 {} {0.330776971791 0.22230488142 0.578173988475} Si1 2 1
14 {} {0.604235499223 0.309979262728 0.447249867174} Si2 3 1
8 {} {0.568888463534 0.464958797541 0.406941954337} O2 4 1
8 {} {0.32252260085 0.352780879599 0.679073100068} O3 5 1
14 {} {0.29751694001 0.515236040514 0.672211682189} Si3 6 1
14 {} {0.504124534871 0.608672344272 0.450092756501} Si4 7 1
1 {} {0.328851269962 0.0990996778968 0.661937277316} H1 8 1
1 {} {0.214283049555 0.225549272843 0.484175167687} H2 9 1
1 {} {0.657385335156 0.24575133102 0.325664949908} H3 10 1
1 {} {0.700666423367 0.315001772182 0.56026987431} H4 11 1
1 {} {0.151876129002 0.541839136323 0.664019093397} H5 12 1
1 {} {0.358186950756 0.57423724666 0.794383168993} H6 13 1
1 {} {0.34838864897 0.833998035311 0.437701405234} H7 14 1
1 {} {0.47567691473 0.679208401387 0.321304243839} H8 15 1
1 {} {0.597404651877 0.690852021484 0.534071938865} H10 16 1
8 {} {0.366324161791 0.578791043717 0.537022936963} O 17 1
1 {} {0.313010905429 0.788751043059 0.485854605849} 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