./iterations/neb0_image06_iter4.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 {} {0.47099993477 0.227141569273 0.48632221615} O1 1 1
14 {} {0.332282589866 0.230625744313 0.5771116917} Si1 2 1
14 {} {0.603516796873 0.306386857697 0.441002360582} Si2 3 1
8 {} {0.563547981386 0.460746254925 0.384510759719} O2 4 1
8 {} {0.330318494432 0.357824741685 0.667232983613} O3 5 1
14 {} {0.279171572848 0.515730808361 0.699154184178} Si3 6 1
14 {} {0.51577823185 0.607786921735 0.421938650774} Si4 7 1
1 {} {0.333243159011 0.11398893951 0.667737887246} H1 8 1
1 {} {0.216614079325 0.228333320622 0.484219357539} H2 9 1
1 {} {0.664797685662 0.234698491015 0.327479579384} H3 10 1
1 {} {0.696619394463 0.322607662519 0.554852607388} H4 11 1
1 {} {0.133794245861 0.514167431239 0.695839323759} H5 12 1
1 {} {0.344243323101 0.555973763918 0.822240652843} H6 13 1
1 {} {0.344904402855 0.816724279616 0.384223291775} H7 14 1
1 {} {0.539495708076 0.689357693346 0.295326936867} H8 15 1
1 {} {0.589847509055 0.674974720979 0.523043875424} H10 16 1
8 {} {0.332302465896 0.615220302533 0.571088176191} O 17 1
1 {} {0.318608564788 0.800228457256 0.527733467522} 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