iterations/neb0_image06_iter294.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 {} {0.463666221959 0.272687047237 0.488690498417} O1 1 1
14 {} {0.319597453296 0.229591922618 0.554447758729} Si1 2 1
14 {} {0.607850290209 0.350646809619 0.477754370667} Si2 3 1
8 {} {0.592025388708 0.497464447301 0.550486456066} O2 4 1
8 {} {0.234463562513 0.352150219832 0.628648284837} O3 5 1
14 {} {0.266864370588 0.509115262691 0.663598774009} Si3 6 1
14 {} {0.496614211699 0.61002039281 0.473337565546} Si4 7 1
1 {} {0.344406238648 0.13392313833 0.664175833598} H1 8 1
1 {} {0.24011979526 0.171938092547 0.44312596608} H2 9 1
1 {} {0.634475322404 0.378215276172 0.333068545156} H3 10 1
1 {} {0.716512604079 0.274873992564 0.545407042031} H4 11 1
1 {} {0.142635261281 0.57472078103 0.717622925729} H5 12 1
1 {} {0.377123019685 0.528710689038 0.760092058376} H6 13 1
1 {} {0.41521662424 0.76947470307 0.467532409014} H7 14 1
1 {} {0.473741081967 0.591877733857 0.32948147092} H8 15 1
1 {} {0.600833004534 0.720972646426 0.469013622137} H10 16 1
8 {} {0.333834526786 0.574175247855 0.527926257175} O 17 1
1 {} {0.350107180193 0.731959878315 0.436648618915} 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