./iterations/neb0_image07_iter69.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 {} {0.470568387601 0.220046484915 0.485403457291} O1 1 1
14 {} {0.332269733654 0.224702759563 0.574500811086} Si1 2 1
14 {} {0.599145706747 0.312564691912 0.443601873966} Si2 3 1
8 {} {0.550827566061 0.463366095674 0.403483339477} O2 4 1
8 {} {0.33056658731 0.354922736532 0.675110764173} O3 5 1
14 {} {0.298433821867 0.515785488233 0.679994360977} Si3 6 1
14 {} {0.501719754264 0.610081884672 0.455248706201} Si4 7 1
1 {} {0.326864889413 0.1032239311 0.659202924082} H1 8 1
1 {} {0.216969813937 0.233223842312 0.481146419907} H2 9 1
1 {} {0.66215342422 0.255206475037 0.322692435248} H3 10 1
1 {} {0.692017525493 0.326039614327 0.558559961477} H4 11 1
1 {} {0.15220741535 0.538607164488 0.671337199134} H5 12 1
1 {} {0.354858032751 0.570902999652 0.805541279176} H6 13 1
1 {} {0.349370499757 0.815560791742 0.421034536214} H7 14 1
1 {} {0.481880263519 0.684412511904 0.328565127026} H8 15 1
1 {} {0.603176248596 0.679799841116 0.539577597406} H10 16 1
8 {} {0.368271788298 0.588035495008 0.549939367302} O 17 1
1 {} {0.318784680847 0.776035157502 0.476117799391} 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