./iterations/neb0_image03_iter234.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.455937741519 0.267257455377 0.48962331592} O1 1 1
14 {} {0.323464494665 0.238998154846 0.582241738215} Si1 2 1
14 {} {0.583253671409 0.350874960142 0.429833650157} Si2 3 1
8 {} {0.534053275385 0.494896903282 0.3683726553} O2 4 1
8 {} {0.303798495572 0.352119743191 0.698813826177} O3 5 1
14 {} {0.255838608224 0.504547468395 0.738126228625} Si3 6 1
14 {} {0.564217248953 0.65740277767 0.361365751004} Si4 7 1
1 {} {0.340937406964 0.107154218379 0.648907996608} H1 8 1
1 {} {0.206766608935 0.239658691321 0.489725761353} H2 9 1
1 {} {0.64282517512 0.269616814333 0.320175450497} H3 10 1
1 {} {0.683037258234 0.375785501492 0.537981567982} H4 11 1
1 {} {0.107149485093 0.507986054053 0.739502949758} H5 12 1
1 {} {0.316843723945 0.537008839825 0.869316245837} H6 13 1
1 {} {0.436301316696 0.723936838279 0.328010250213} H7 14 1
1 {} {0.665516058697 0.684749424909 0.25488395828} H8 15 1
1 {} {0.617483144969 0.708072450528 0.491028147344} H10 16 1
8 {} {0.31170463042 0.61792826981 0.632045873874} O 17 1
1 {} {0.260957839122 0.634523502444 0.551102286713} 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