./iterations/neb0_image02_iter37.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.467929535102 0.238092254471 0.475057636252} O1 1 1
14 {} {0.329766344902 0.246224161752 0.562659514554} Si1 2 1
14 {} {0.596051949345 0.331027553241 0.432305041668} Si2 3 1
8 {} {0.543293915345 0.475131915886 0.374500655728} O2 4 1
8 {} {0.334151078942 0.377226051752 0.659162021194} O3 5 1
14 {} {0.269441642818 0.517021345086 0.717023717531} Si3 6 1
14 {} {0.528677483753 0.639709402835 0.378564066351} Si4 7 1
1 {} {0.321980459128 0.123169905784 0.645521448798} H1 8 1
1 {} {0.214776119952 0.253118081352 0.468943414321} H2 9 1
1 {} {0.668286551571 0.255429361609 0.327787066865} H3 10 1
1 {} {0.684500746746 0.349170033343 0.550069677287} H4 11 1
1 {} {0.12438279685 0.499103462007 0.736749270224} H5 12 1
1 {} {0.34087316272 0.546647669451 0.843912130565} H6 13 1
1 {} {0.3881198058 0.679000568288 0.358581986717} H7 14 1
1 {} {0.61189175869 0.702223254583 0.268796874094} H8 15 1
1 {} {0.568661433049 0.688066033325 0.516223313392} H10 16 1
8 {} {0.281555733789 0.637391183722 0.602094274414} O 17 1
1 {} {0.335745631401 0.714765721726 0.61310587868} 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