./iterations/neb0_image09_iter87.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472313534992 0.213443780463 0.494927999523} O1 1 1
14 {} {0.335842183816 0.216356033939 0.586309812138} Si1 2 1
14 {} {0.603130909759 0.299470506774 0.444954582935} Si2 3 1
8 {} {0.5602824405 0.452006857105 0.401146178189} O2 4 1
8 {} {0.328290782459 0.354508462355 0.676028198829} O3 5 1
14 {} {0.296808522817 0.515969316289 0.669415739588} Si3 6 1
14 {} {0.506982238312 0.599325423718 0.450904702081} Si4 7 1
1 {} {0.33968698122 0.10186395388 0.680859673886} H1 8 1
1 {} {0.218250741879 0.209439723493 0.494928808567} H2 9 1
1 {} {0.659129146754 0.232571663302 0.324993693308} H3 10 1
1 {} {0.701817530524 0.305606015473 0.556637241221} H4 11 1
1 {} {0.150312741827 0.53805215138 0.656101378215} H5 12 1
1 {} {0.351353866856 0.575787992277 0.794175974693} H6 13 1
1 {} {0.323377635091 0.878976643463 0.414020035887} H7 14 1
1 {} {0.475835094188 0.678944126642 0.329731080089} H8 15 1
1 {} {0.611667304618 0.663620286945 0.535442303041} H10 16 1
8 {} {0.36839565778 0.584508022351 0.538630948482} O 17 1
1 {} {0.306608854847 0.852066985933 0.481849619571} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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