./iterations/neb0_image05_iter104.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.470490553049 0.227167526856 0.49103850939} O1 1 1
14 {} {0.331077268418 0.223263364802 0.574595708378} Si1 2 1
14 {} {0.591234155636 0.332329188729 0.448576285944} Si2 3 1
8 {} {0.531905664058 0.481916228699 0.422285646637} O2 4 1
8 {} {0.32512665819 0.356170592032 0.672834632679} O3 5 1
14 {} {0.287191378651 0.513181544222 0.680014130914} Si3 6 1
14 {} {0.504893470234 0.65063348771 0.428170099095} Si4 7 1
1 {} {0.327464877998 0.102103457844 0.658700107181} H1 8 1
1 {} {0.214691279543 0.228773547456 0.483465776795} H2 9 1
1 {} {0.64880643455 0.279337897841 0.321541196265} H3 10 1
1 {} {0.692700519595 0.328840267742 0.559584739965} H4 11 1
1 {} {0.14086891751 0.538351948089 0.677201752935} H5 12 1
1 {} {0.359259403446 0.575820149568 0.793401378014} H6 13 1
1 {} {0.409447987845 0.776889116214 0.436637111366} H7 14 1
1 {} {0.526479694401 0.675187271142 0.283381950696} H8 15 1
1 {} {0.603249617026 0.697963941257 0.528882522012} H10 16 1
8 {} {0.336981656102 0.595104332341 0.53873156962} O 17 1
1 {} {0.30821654929 0.689484063391 0.532014884387} 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