./iterations/neb0_image08_iter60.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471752316645 0.21540124685 0.487550168097} O1 1 1
14 {} {0.334157411645 0.221120611107 0.578067691022} Si1 2 1
14 {} {0.601683097158 0.306606329918 0.443631404178} Si2 3 1
8 {} {0.555985601936 0.458542725421 0.401610316024} O2 4 1
8 {} {0.331902336306 0.355092617545 0.673948861858} O3 5 1
14 {} {0.297574121579 0.516124455216 0.674750876911} Si3 6 1
14 {} {0.502804093834 0.604557432586 0.454194988252} Si4 7 1
1 {} {0.332364680064 0.102708040207 0.667848081915} H1 8 1
1 {} {0.216635198333 0.224132131691 0.485692514961} H2 9 1
1 {} {0.662464421508 0.242607343054 0.324394876024} H3 10 1
1 {} {0.697077908998 0.31873416192 0.557647657377} H4 11 1
1 {} {0.150751917764 0.537531847931 0.665871822688} H5 12 1
1 {} {0.354463989218 0.573921432925 0.799218948196} H6 13 1
1 {} {0.333052205382 0.835489121826 0.415707761104} H7 14 1
1 {} {0.475884244045 0.682797745473 0.331187617453} H8 15 1
1 {} {0.605502592388 0.670686251391 0.539552018658} H10 16 1
8 {} {0.36634799335 0.587745406956 0.543464839113} O 17 1
1 {} {0.319681993516 0.818719063692 0.486717553862} 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