./iterations/neb0_image09_iter123.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.471950394125 0.214441044785 0.494147910588} O1 1 1
14 {} {0.335200949177 0.216215784346 0.585286009581} Si1 2 1
14 {} {0.603580781416 0.299281972943 0.444613418517} Si2 3 1
8 {} {0.561868429195 0.45212870915 0.400774648255} O2 4 1
8 {} {0.327029155478 0.353118250887 0.676506406048} O3 5 1
14 {} {0.297250341459 0.51487142688 0.670498240919} Si3 6 1
14 {} {0.50804600118 0.598869699904 0.451221166557} Si4 7 1
1 {} {0.338837446592 0.100811290957 0.678527296146} H1 8 1
1 {} {0.217888547113 0.210523521496 0.493706675765} H2 9 1
1 {} {0.658917198532 0.231219026313 0.324908175787} H3 10 1
1 {} {0.702358192661 0.307070844263 0.556181883023} H4 11 1
1 {} {0.151088743075 0.538537122231 0.656980420422} H5 12 1
1 {} {0.351648086959 0.574406919367 0.795531919463} H6 13 1
1 {} {0.322705708279 0.883637641813 0.415441271671} H7 14 1
1 {} {0.475995812123 0.677826875907 0.329999948294} H8 15 1
1 {} {0.612202093252 0.664602945831 0.535517540555} H10 16 1
8 {} {0.369993404654 0.58245216288 0.540000719898} O 17 1
1 {} {0.303524865721 0.852502738122 0.481214307112} 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
12 5 0 0
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 0
15 6 0 0
16 6 0 0
4 1 0 0
3 2 0 0
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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