iterations/neb0_image04_iter278.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.468016124563 0.261672477169 0.492101309272} O1 1 1
14 {} {0.326043902552 0.230327455816 0.567246101905} Si1 2 1
14 {} {0.600056976084 0.34804691256 0.449618839917} Si2 3 1
8 {} {0.563470844625 0.506239544785 0.433648915437} O2 4 1
8 {} {0.279381611993 0.350451601986 0.667352696385} O3 5 1
14 {} {0.234234754656 0.503844668287 0.698960818679} Si3 6 1
14 {} {0.58861980695 0.6659905865 0.403227812859} Si4 7 1
1 {} {0.34417452351 0.108960587154 0.649884869718} H1 8 1
1 {} {0.223748480529 0.212970121283 0.462330549142} H2 9 1
1 {} {0.64992600918 0.296817366013 0.318327143389} H3 10 1
1 {} {0.702765970559 0.331638940658 0.556951423941} H4 11 1
1 {} {0.107344488937 0.501979107766 0.777549716732} H5 12 1
1 {} {0.342124795466 0.572273719141 0.775922105794} H6 13 1
1 {} {0.469129345607 0.741939682867 0.448072991276} H7 14 1
1 {} {0.609528895176 0.684424449922 0.256564814292} H8 15 1
1 {} {0.709205619087 0.713524367502 0.478284953601} H10 16 1
8 {} {0.214749577528 0.576285085495 0.551397561729} O 17 1
1 {} {0.177564200808 0.665131073092 0.54361570114} 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