./iterations/neb0_image09_iter211.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472560248996 0.215466686102 0.493580478899} O1 1 1
14 {} {0.332918093713 0.214990678494 0.581975524134} Si1 2 1
14 {} {0.605951113513 0.29649458893 0.445136323725} Si2 3 1
8 {} {0.569942403446 0.452075779263 0.402937511696} O2 4 1
8 {} {0.32266431452 0.348782184155 0.676312492131} O3 5 1
14 {} {0.300083927531 0.512440087741 0.673077008357} Si3 6 1
14 {} {0.511129717338 0.596824128583 0.453025411865} Si4 7 1
1 {} {0.334404038043 0.0964862745047 0.671270008916} H1 8 1
1 {} {0.218749294669 0.211733584041 0.4865018691} H2 9 1
1 {} {0.659232196985 0.228859176205 0.324113929275} H3 10 1
1 {} {0.705468012172 0.298944003252 0.5564026595} H4 11 1
1 {} {0.155058199452 0.542716006671 0.659146884945} H5 12 1
1 {} {0.35771783021 0.568109020815 0.798609767479} H6 13 1
1 {} {0.316691953852 0.911585949089 0.430764598269} H7 14 1
1 {} {0.473927082532 0.673947577408 0.331227304958} H8 15 1
1 {} {0.615075846786 0.666475989977 0.53460964989} H10 16 1
8 {} {0.375880800615 0.578878943192 0.543159491372} O 17 1
1 {} {0.282631033215 0.857707304504 0.469206719751} 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
14 6 0 0
16 5 0 0
15 6 0 0
16 6 0 0
4 1 0 0
3 2 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 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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