iterations/neb0_image06_iter131.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 {} {0.47017120691 0.228226965995 0.488390335029} O1 1 1
14 {} {0.329033534254 0.224344527992 0.572660772514} Si1 2 1
14 {} {0.601996915601 0.320082045698 0.449636911815} Si2 3 1
8 {} {0.566059424654 0.47540185517 0.424107871445} O2 4 1
8 {} {0.319200443011 0.35343399698 0.673532633582} O3 5 1
14 {} {0.29027128254 0.515779284005 0.664203114159} Si3 6 1
14 {} {0.491214576645 0.61986687434 0.445890999496} Si4 7 1
1 {} {0.330496954119 0.102761559124 0.657539301977} H1 8 1
1 {} {0.214476837688 0.222876783492 0.476158196253} H2 9 1
1 {} {0.656625111638 0.263379268402 0.322898275026} H3 10 1
1 {} {0.702176891726 0.31811656004 0.561192053358} H4 11 1
1 {} {0.143093978963 0.535918436353 0.680947181044} H5 12 1
1 {} {0.364997946976 0.581928572741 0.774524681697} H6 13 1
1 {} {0.386565949183 0.804339483807 0.479277322888} H7 14 1
1 {} {0.480569948683 0.677214670528 0.308094901052} H8 15 1
1 {} {0.589439519759 0.698473398582 0.527700685686} H10 16 1
8 {} {0.344046935946 0.571348940816 0.51797274067} O 17 1
1 {} {0.329648613989 0.759024669623 0.506330004095} 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