./iterations/neb0_image06_iter180.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 {} {0.47597288462 0.223792601319 0.486577627051} O1 1 1
14 {} {0.332224154823 0.219950905394 0.565675184046} Si1 2 1
14 {} {0.608051735245 0.316690491863 0.454135115851} Si2 3 1
8 {} {0.570256264952 0.474290103307 0.452759940277} O2 4 1
8 {} {0.305093410463 0.354543955856 0.657092308015} O3 5 1
14 {} {0.286024766126 0.517108687463 0.656840796537} Si3 6 1
14 {} {0.484170985697 0.612324484291 0.446138190913} Si4 7 1
1 {} {0.338428431122 0.106221689858 0.660920690756} H1 8 1
1 {} {0.223556234115 0.204463827542 0.46385275428} H2 9 1
1 {} {0.660897481201 0.283317444659 0.320747165514} H3 10 1
1 {} {0.708175691496 0.294178002996 0.560261993685} H4 11 1
1 {} {0.144759449592 0.545040178405 0.694901045519} H5 12 1
1 {} {0.376436092838 0.582163276871 0.755632500933} H6 13 1
1 {} {0.392251877756 0.816977672785 0.521044837165} H7 14 1
1 {} {0.46960731512 0.6575885527 0.305167329453} H8 15 1
1 {} {0.58047912746 0.704542262312 0.514638470585} H10 16 1
8 {} {0.328895191773 0.575898770404 0.50754365857} O 17 1
1 {} {0.32480484005 0.783424920578 0.507128453245} 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