./iterations/neb0_image05_iter218.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.474334538668 0.24910950265 0.490600306824} O1 1 1
14 {} {0.326253933389 0.228966256754 0.560244767883} Si1 2 1
14 {} {0.604984891501 0.345710934924 0.469554251291} Si2 3 1
8 {} {0.56694948386 0.502062988695 0.505938009139} O2 4 1
8 {} {0.274894249237 0.365450658124 0.634214048962} O3 5 1
14 {} {0.238911577807 0.522982470353 0.662167539793} Si3 6 1
14 {} {0.570349658711 0.655686247398 0.447166260161} Si4 7 1
1 {} {0.338354330391 0.121288632386 0.661363175493} H1 8 1
1 {} {0.228660770412 0.185754032514 0.456118739429} H2 9 1
1 {} {0.646458604615 0.337269074005 0.326665125002} H3 10 1
1 {} {0.711763473242 0.299726060648 0.560812668044} H4 11 1
1 {} {0.136063350741 0.523505853988 0.770837468038} H5 12 1
1 {} {0.364153880524 0.594362023822 0.694149252765} H6 13 1
1 {} {0.49110979051 0.736960994405 0.546062244148} H7 14 1
1 {} {0.500368326508 0.659106954614 0.314317108144} H8 15 1
1 {} {0.7101060064 0.706707520504 0.431080970812} H10 16 1
8 {} {0.176172001155 0.601264916484 0.528928234173} O 17 1
1 {} {0.250197137727 0.636602901203 0.470838014952} 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