iterations/neb0_image06_iter71.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 {} {0.468740273431 0.22116871657 0.485597086458} O1 1 1
14 {} {0.330686774962 0.226384070545 0.576293779067} Si1 2 1
14 {} {0.59378821357 0.3189863537 0.443400496039} Si2 3 1
8 {} {0.540666991547 0.468483612521 0.407394962658} O2 4 1
8 {} {0.328089635764 0.356734067427 0.676686739037} O3 5 1
14 {} {0.295286128117 0.51732954504 0.681497659105} Si3 6 1
14 {} {0.49883089638 0.619311154982 0.451119558909} Si4 7 1
1 {} {0.328320053238 0.10683821078 0.66328705716} H1 8 1
1 {} {0.215526586672 0.23173703559 0.482226243309} H2 9 1
1 {} {0.656685596255 0.267099345861 0.318991779925} H3 10 1
1 {} {0.689698699486 0.334725995183 0.55708208933} H4 11 1
1 {} {0.148395143907 0.539077336524 0.675834522655} H5 12 1
1 {} {0.34928510593 0.570076201599 0.809245076115} H6 13 1
1 {} {0.369274590622 0.785072639257 0.425379750441} H7 14 1
1 {} {0.504339612008 0.682001141091 0.313123544114} H8 15 1
1 {} {0.598849750134 0.692026854347 0.533846810719} H10 16 1
8 {} {0.365363676596 0.589975485852 0.551398801373} O 17 1
1 {} {0.328258379766 0.745490185478 0.478652029003} 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