iterations/neb0_image07_iter276.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 {} {0.481552195844 0.205165198366 0.502679553898} O1 1 1
14 {} {0.339131395175 0.210051428036 0.586138061185} Si1 2 1
14 {} {0.611700123351 0.292514741648 0.454990056158} Si2 3 1
8 {} {0.574686944945 0.450757401876 0.431972914345} O2 4 1
8 {} {0.315489106053 0.355989358479 0.658828269737} O3 5 1
14 {} {0.289532511309 0.51773395302 0.647199897347} Si3 6 1
14 {} {0.496560197331 0.594266313538 0.431862701922} Si4 7 1
1 {} {0.34125420542 0.109558626729 0.695463215693} H1 8 1
1 {} {0.230940644499 0.184894578353 0.487359244544} H2 9 1
1 {} {0.66202341796 0.240646477768 0.32608377466} H3 10 1
1 {} {0.713164607766 0.282228488901 0.561885435547} H4 11 1
1 {} {0.142625655857 0.541149209529 0.650218494188} H5 12 1
1 {} {0.359011917859 0.585072962081 0.760350385137} H6 13 1
1 {} {0.338818317073 0.917265940853 0.490379136842} H7 14 1
1 {} {0.470392195424 0.636874845787 0.29197232869} H8 15 1
1 {} {0.584400111677 0.692622880039 0.501770588502} H10 16 1
8 {} {0.350433139175 0.580068245922 0.507700227846} O 17 1
1 {} {0.308369087604 0.875657227211 0.544203407626} 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