iterations/neb0_image03_iter278.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.457286751255 0.264126462222 0.484187708802} O1 1 1
14 {} {0.324361053886 0.241044297804 0.576656588993} Si1 2 1
14 {} {0.588161759026 0.347134408287 0.431208831599} Si2 3 1
8 {} {0.542540776753 0.492901535412 0.37121804314} O2 4 1
8 {} {0.304128908372 0.360866117905 0.685691649295} O3 5 1
14 {} {0.25087276713 0.508673828852 0.733961081154} Si3 6 1
14 {} {0.565522393994 0.656191316888 0.368683580743} Si4 7 1
1 {} {0.341847469921 0.11374315332 0.650319388367} H1 8 1
1 {} {0.207152223587 0.236732034258 0.485390287829} H2 9 1
1 {} {0.649215243953 0.269548992979 0.320057701346} H3 10 1
1 {} {0.683660938721 0.366654103173 0.544370517284} H4 11 1
1 {} {0.103173537945 0.500009848342 0.750874315625} H5 12 1
1 {} {0.318135678813 0.545182268852 0.860360584128} H6 13 1
1 {} {0.431208519671 0.718269001191 0.354441126832} H7 14 1
1 {} {0.650274482703 0.693680318176 0.250499658216} H8 15 1
1 {} {0.630521417437 0.701831918723 0.495610286275} H10 16 1
8 {} {0.297193577044 0.627626237177 0.629369841454} O 17 1
1 {} {0.264828597687 0.628302171257 0.53815639056} 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