./iterations/neb0_image07_iter235.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 {} {0.475539715925 0.224677003981 0.497706235193} O1 1 1
14 {} {0.335575751502 0.214446856103 0.58280195901} Si1 2 1
14 {} {0.615649095225 0.297915306518 0.454056132526} Si2 3 1
8 {} {0.593205033879 0.457884098882 0.426730521055} O2 4 1
8 {} {0.311065908412 0.349719044913 0.67299972542} O3 5 1
14 {} {0.291357624888 0.51095388176 0.647947261219} Si3 6 1
14 {} {0.496775975996 0.590184673113 0.43212991013} Si4 7 1
1 {} {0.342325951821 0.100336699173 0.676129144078} H1 8 1
1 {} {0.223785253934 0.198634788763 0.486010398114} H2 9 1
1 {} {0.659181218873 0.232885126753 0.32846556915} H3 10 1
1 {} {0.716928360375 0.285805410309 0.56218436639} H4 11 1
1 {} {0.147088829337 0.548164805783 0.647482437161} H5 12 1
1 {} {0.365690817514 0.579273977534 0.757536096879} H6 13 1
1 {} {0.340283691869 0.925716337094 0.503055824132} H7 14 1
1 {} {0.470429402328 0.635246690887 0.293143789051} H8 15 1
1 {} {0.561571165678 0.694326471471 0.515582407783} H10 16 1
8 {} {0.351858703843 0.55463423475 0.500248208499} O 17 1
1 {} {0.31177337749 0.871712419879 0.54684776632} 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