./iterations/neb0_image06_iter55.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 {} {0.46973191262 0.220127277999 0.482600072553} O1 1 1
14 {} {0.331475489484 0.227428052549 0.571925552772} Si1 2 1
14 {} {0.59449792252 0.319706534883 0.44267137587} Si2 3 1
8 {} {0.538356558731 0.467903499112 0.405227098861} O2 4 1
8 {} {0.332519406441 0.358629234235 0.671354260045} O3 5 1
14 {} {0.294508176998 0.517839829832 0.683704581721} Si3 6 1
14 {} {0.497808919269 0.62008748781 0.451485067224} Si4 7 1
1 {} {0.329546516259 0.110466856812 0.662747591506} H1 8 1
1 {} {0.213450733212 0.233278059803 0.479650431234} H2 9 1
1 {} {0.658311931013 0.260916548298 0.323242432778} H3 10 1
1 {} {0.691345910055 0.334777530095 0.555005304831} H4 11 1
1 {} {0.145490572454 0.537594885506 0.680689649696} H5 12 1
1 {} {0.348439939626 0.571466142257 0.812827157774} H6 13 1
1 {} {0.367265751369 0.785764902279 0.424434341669} H7 14 1
1 {} {0.504408790905 0.682929153397 0.314809924517} H8 15 1
1 {} {0.599076566233 0.689087965509 0.537003718446} H10 16 1
8 {} {0.365999101561 0.592841541106 0.555245522365} O 17 1
1 {} {0.327851922847 0.741672451605 0.476433898109} 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