iterations/neb0_image07_iter205.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 {} {0.473880685741 0.231665756794 0.495375398939} O1 1 1
14 {} {0.333799188304 0.217917766804 0.580679996997} Si1 2 1
14 {} {0.616255746562 0.301036181735 0.451894199593} Si2 3 1
8 {} {0.599255588397 0.462045623711 0.423170086631} O2 4 1
8 {} {0.306861116306 0.348616654281 0.677758709425} O3 5 1
14 {} {0.290426142799 0.510429242293 0.651785079077} Si3 6 1
14 {} {0.495385510856 0.589443400167 0.434325771902} Si4 7 1
1 {} {0.345238393503 0.0987394452139 0.668457724986} H1 8 1
1 {} {0.221791268155 0.206816820769 0.482373990046} H2 9 1
1 {} {0.661805290884 0.233924023218 0.326843204201} H3 10 1
1 {} {0.71468979968 0.286768264734 0.562808874903} H4 11 1
1 {} {0.14740099932 0.550193321928 0.650801295935} H5 12 1
1 {} {0.36837980139 0.580981860959 0.757343562201} H6 13 1
1 {} {0.34330720662 0.918128099114 0.503827186047} H7 14 1
1 {} {0.468313918629 0.63673900559 0.295866359123} H8 15 1
1 {} {0.556652937586 0.692686440824 0.523030420397} H10 16 1
8 {} {0.350747320459 0.546011055229 0.502244393413} O 17 1
1 {} {0.31589500787 0.860374851752 0.542471541487} 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