./iterations/neb0_image04_iter282.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.468661839625 0.261132759457 0.491496542229} O1 1 1
14 {} {0.325992388042 0.230937206753 0.56616481692} Si1 2 1
14 {} {0.60158760539 0.347381259915 0.449851592023} Si2 3 1
8 {} {0.565253883681 0.506012662928 0.435219906849} O2 4 1
8 {} {0.279386434913 0.351825902839 0.666089841514} O3 5 1
14 {} {0.232861382062 0.505487402575 0.698645217683} Si3 6 1
14 {} {0.589472339435 0.665168371557 0.404255657899} Si4 7 1
1 {} {0.344593567185 0.109887129998 0.650930834651} H1 8 1
1 {} {0.223797479474 0.211908773203 0.460409910117} H2 9 1
1 {} {0.65035627923 0.296617833603 0.318656182645} H3 10 1
1 {} {0.703723284046 0.330075174859 0.557126532871} H4 11 1
1 {} {0.107570456911 0.500696019592 0.779933122906} H5 12 1
1 {} {0.342028447086 0.574181286917 0.773463660472} H6 13 1
1 {} {0.470872557109 0.742082402891 0.450456779221} H7 14 1
1 {} {0.606930993983 0.684198193502 0.25686123735} H8 15 1
1 {} {0.711172383265 0.712410506496 0.477567027341} H10 16 1
8 {} {0.210097881575 0.576148471951 0.551015226265} O 17 1
1 {} {0.175726721288 0.666366383497 0.542914248237} 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