./iterations/neb0_image02_iter249.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.45842986608 0.264165690907 0.490143019476} O1 1 1
14 {} {0.326829628554 0.239853105064 0.58467613879} Si1 2 1
14 {} {0.583737526914 0.348960571108 0.427985213648} Si2 3 1
8 {} {0.531620449892 0.49167997997 0.366267778399} O2 4 1
8 {} {0.312318694257 0.355912151698 0.699694314708} O3 5 1
14 {} {0.244365928061 0.502944015348 0.731675322911} Si3 6 1
14 {} {0.560588340876 0.653748472545 0.356891899217} Si4 7 1
1 {} {0.344323436318 0.109997008368 0.654548075573} H1 8 1
1 {} {0.20593705279 0.239774203978 0.497235658816} H2 9 1
1 {} {0.642162857064 0.268192421768 0.317802184037} H3 10 1
1 {} {0.682483542974 0.377425380509 0.536049265951} H4 11 1
1 {} {0.0977193940481 0.487027544406 0.747902313976} H5 12 1
1 {} {0.311575417769 0.554049123239 0.854189446615} H6 13 1
1 {} {0.435752267111 0.720278898427 0.311154704597} H7 14 1
1 {} {0.672586022108 0.681153982883 0.262205730199} H8 15 1
1 {} {0.599747990809 0.707643894699 0.491521377363} H10 16 1
8 {} {0.259433077115 0.608881435494 0.606140978782} O 17 1
1 {} {0.340474803239 0.660830232989 0.594974511717} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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