./iterations/neb0_image01_iter161.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.465267783266 0.252715171982 0.4765866973} O1 1 1
14 {} {0.327302024232 0.250990181801 0.565799408831} Si1 2 1
14 {} {0.597532706998 0.335330774147 0.427525642756} Si2 3 1
8 {} {0.556142186485 0.476647456915 0.35423024273} O2 4 1
8 {} {0.325258185859 0.377698162181 0.670238038255} O3 5 1
14 {} {0.257025668833 0.513712382703 0.7317192354} Si3 6 1
14 {} {0.537208911309 0.639405687777 0.363846363707} Si4 7 1
1 {} {0.325600060448 0.124794518291 0.643843008848} H1 8 1
1 {} {0.211256985654 0.259843549151 0.473499971367} H2 9 1
1 {} {0.667381931856 0.251760198014 0.327080356295} H3 10 1
1 {} {0.683952246821 0.366156967769 0.54477897606} H4 11 1
1 {} {0.111329430093 0.493328065977 0.750508653598} H5 12 1
1 {} {0.328451855091 0.540350958533 0.859514288068} H6 13 1
1 {} {0.398828540894 0.674632300095 0.323350033844} H7 14 1
1 {} {0.636697597777 0.707182173523 0.275898473658} H8 15 1
1 {} {0.558600418198 0.686300097669 0.505024514105} H10 16 1
8 {} {0.267202843484 0.6425554977 0.628634659717} O 17 1
1 {} {0.355046589114 0.679113721057 0.60897935519} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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