./iterations/neb0_image01_iter2.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.467199172016 0.245618676881 0.471162077854} O1 1 1
14 {} {0.326837577036 0.252547186615 0.555922485579} Si1 2 1
14 {} {0.603029805218 0.329122044109 0.431779572723} Si2 3 1
8 {} {0.565780110459 0.473809547468 0.364856924828} O2 4 1
8 {} {0.330281054221 0.380703930988 0.65769377923} O3 5 1
14 {} {0.265304744552 0.509628319768 0.730133874914} Si3 6 1
14 {} {0.530552947022 0.633524967834 0.37076754581} Si4 7 1
1 {} {0.315805900676 0.128372229012 0.636398060057} H1 8 1
1 {} {0.213937607657 0.266758663053 0.460233306403} H2 9 1
1 {} {0.67591862253 0.249485664101 0.33034070116} H3 10 1
1 {} {0.684211557398 0.351570916419 0.554344169393} H4 11 1
1 {} {0.121205069238 0.486107391682 0.750289916121} H5 12 1
1 {} {0.341069431676 0.529556869754 0.855702177421} H6 13 1
1 {} {0.384184905973 0.687097354848 0.329628325263} H7 14 1
1 {} {0.611596945186 0.703585399471 0.274353804689} H8 15 1
1 {} {0.558053313553 0.690678224361 0.503345520285} H10 16 1
8 {} {0.27342225471 0.642115089651 0.637823787631} O 17 1
1 {} {0.341695120876 0.712235483887 0.616281970638} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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