./iterations/neb0_image08_iter85.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.47209386595 0.218498368143 0.489274828467} O1 1 1
14 {} {0.333324151757 0.221238375506 0.578187811001} Si1 2 1
14 {} {0.602482401329 0.30741343392 0.44438015409} Si2 3 1
8 {} {0.558452875868 0.459596169911 0.400410617404} O2 4 1
8 {} {0.329497796665 0.352589526157 0.677675220689} O3 5 1
14 {} {0.298690894116 0.514774162081 0.675284731803} Si3 6 1
14 {} {0.504561915518 0.605045805684 0.453707187033} Si4 7 1
1 {} {0.329863943664 0.0996628085346 0.66366610125} H1 8 1
1 {} {0.217798735141 0.226294804804 0.483689302653} H2 9 1
1 {} {0.663443528721 0.244651614188 0.324491285181} H3 10 1
1 {} {0.696841090087 0.314345922058 0.559869193466} H4 11 1
1 {} {0.152235433856 0.537942625375 0.665381719377} H5 12 1
1 {} {0.356390484367 0.571354093404 0.799943003887} H6 13 1
1 {} {0.333144641849 0.843427864943 0.416579000141} H7 14 1
1 {} {0.472193898616 0.683974507258 0.33265020613} H8 15 1
1 {} {0.608291257279 0.670685943482 0.538447861412} H10 16 1
8 {} {0.367955585892 0.585137736321 0.543534387172} O 17 1
1 {} {0.312823625077 0.815884220568 0.483885347838} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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