./iterations/neb0_image05_iter156.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.474673693238 0.229749533489 0.484469990585} O1 1 1
14 {} {0.330200177841 0.227712015156 0.566326121915} Si1 2 1
14 {} {0.595282706271 0.341818624071 0.458740158091} Si2 3 1
8 {} {0.534659078022 0.494362466599 0.475262995582} O2 4 1
8 {} {0.302939626535 0.364412924348 0.653669723342} O3 5 1
14 {} {0.259864685648 0.521110709305 0.666135323605} Si3 6 1
14 {} {0.547069347077 0.654324305675 0.435984625104} Si4 7 1
1 {} {0.336215054263 0.114441627905 0.662691537553} H1 8 1
1 {} {0.225104172257 0.20432605545 0.463077763111} H2 9 1
1 {} {0.649945918904 0.315592267499 0.31971600795} H3 10 1
1 {} {0.701892422789 0.315692350278 0.562916372942} H4 11 1
1 {} {0.131297472683 0.529337268822 0.741814200217} H5 12 1
1 {} {0.368890673534 0.587883827798 0.743091411113} H6 13 1
1 {} {0.447793275898 0.742655635931 0.508427601159} H7 14 1
1 {} {0.516060168669 0.660829102742 0.290203227593} H8 15 1
1 {} {0.680306607152 0.705820458209 0.479129156923} H10 16 1
8 {} {0.239351543903 0.585139496194 0.513786818552} O 17 1
1 {} {0.268539393824 0.677309258121 0.505615080622} 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