./iterations/neb0_image05_iter5.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 {} {0.470298867824 0.2303501459 0.483446772409} O1 1 1
14 {} {0.331314042787 0.23292575229 0.5723559709} Si1 2 1
14 {} {0.603263561061 0.309364749805 0.439869672002} Si2 3 1
8 {} {0.562099372556 0.463365670701 0.381048303388} O2 4 1
8 {} {0.332053836986 0.36030522092 0.665217541388} O3 5 1
14 {} {0.274928356502 0.516667899653 0.70744920588} Si3 6 1
14 {} {0.515821054677 0.61563742836 0.412942818996} Si4 7 1
1 {} {0.330208029704 0.116104174427 0.66230503568} H1 8 1
1 {} {0.215928988268 0.235100861508 0.479717171953} H2 9 1
1 {} {0.666919646277 0.2373480482 0.327664504885} H3 10 1
1 {} {0.694634384504 0.327958815506 0.554954771253} H4 11 1
1 {} {0.129398566914 0.508706944464 0.706532299528} H5 12 1
1 {} {0.343981541908 0.551276772964 0.830054994033} H6 13 1
1 {} {0.353526208132 0.791516656432 0.375984952302} H7 14 1
1 {} {0.554539524158 0.693222804324 0.286796419783} H8 15 1
1 {} {0.584921614053 0.678174809394 0.522739764546} H10 16 1
8 {} {0.32380287152 0.628528202241 0.577864638153} O 17 1
1 {} {0.322445675518 0.775963001411 0.544113162125} 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