iterations/neb0_image02_iter238.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 {} {0.459263083903 0.262160315844 0.490887389741} O1 1 1
14 {} {0.326899906132 0.239386808703 0.585045377909} Si1 2 1
14 {} {0.583671120194 0.348389330526 0.428357297768} Si2 3 1
8 {} {0.530243568922 0.491048751382 0.366806799881} O2 4 1
8 {} {0.313342585336 0.356476556247 0.699527292625} O3 5 1
14 {} {0.245461210456 0.503720391418 0.730761491356} Si3 6 1
14 {} {0.559477483605 0.652922795531 0.357410442451} Si4 7 1
1 {} {0.343422021828 0.109291274899 0.655587313693} H1 8 1
1 {} {0.206785020007 0.240344500594 0.496551487183} H2 9 1
1 {} {0.642553274409 0.268077100062 0.317901947042} H3 10 1
1 {} {0.683189997612 0.377529047586 0.535885678157} H4 11 1
1 {} {0.0986335250866 0.487886637713 0.74646616046} H5 12 1
1 {} {0.31224574122 0.554110929838 0.85404501389} H6 13 1
1 {} {0.434812226408 0.719902583363 0.311546614792} H7 14 1
1 {} {0.670973885729 0.680692691958 0.262384838859} H8 15 1
1 {} {0.597239102983 0.706689959707 0.492060825374} H10 16 1
8 {} {0.261369624568 0.60903395533 0.604687833875} O 17 1
1 {} {0.340502865631 0.664854438287 0.595144188286} 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