./iterations/neb0_image07_iter257.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.477199631827 0.216010077566 0.500887078536} O1 1 1
14 {} {0.336202271612 0.211814816931 0.584402989315} Si1 2 1
14 {} {0.614061749862 0.294846224109 0.454635266452} Si2 3 1
8 {} {0.585444264467 0.453755194255 0.428987257678} O2 4 1
8 {} {0.313425462975 0.3526122566 0.66715457865} O3 5 1
14 {} {0.291152999729 0.513563455489 0.647374006964} Si3 6 1
14 {} {0.496112335808 0.591616374984 0.431159580424} Si4 7 1
1 {} {0.34235831318 0.103476973991 0.684779092556} H1 8 1
1 {} {0.226722862857 0.192119180328 0.485596597032} H2 9 1
1 {} {0.661461825177 0.234606241124 0.327267006143} H3 10 1
1 {} {0.716517501151 0.283342636594 0.562156579306} H4 11 1
1 {} {0.14548889539 0.543934011903 0.646493848696} H5 12 1
1 {} {0.364170316714 0.581919848614 0.758147258777} H6 13 1
1 {} {0.338130999766 0.928170550957 0.500537697458} H7 14 1
1 {} {0.471039182845 0.63548354895 0.291377252742} H8 15 1
1 {} {0.569775623075 0.694480209366 0.50917862556} H10 16 1
8 {} {0.350340277982 0.562419086845 0.501731416994} O 17 1
1 {} {0.310481309651 0.878347141318 0.5491915717} 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