./iterations/neb0_image07_iter226.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 {} {0.475458462704 0.225207950018 0.497037141034} O1 1 1
14 {} {0.335439097834 0.21443544781 0.582078694225} Si1 2 1
14 {} {0.616058801809 0.298359870396 0.453673096771} Si2 3 1
8 {} {0.596489257508 0.459392282748 0.426637313923} O2 4 1
8 {} {0.309735424903 0.348602717064 0.674521321292} O3 5 1
14 {} {0.290990672945 0.510765084404 0.647888007125} Si3 6 1
14 {} {0.496320949388 0.589257109193 0.43197966715} Si4 7 1
1 {} {0.343422820605 0.0990005039872 0.674624007786} H1 8 1
1 {} {0.223130963638 0.200027214809 0.485751907284} H2 9 1
1 {} {0.659083155413 0.23272374519 0.327472543247} H3 10 1
1 {} {0.717252737734 0.286480427428 0.562815240291} H4 11 1
1 {} {0.147328911979 0.550277140539 0.646332583923} H5 12 1
1 {} {0.367000610875 0.579188298675 0.756363767252} H6 13 1
1 {} {0.340690760217 0.928614097168 0.506417243658} H7 14 1
1 {} {0.470696812478 0.632379488736 0.29221602255} H8 15 1
1 {} {0.55795347108 0.693800869087 0.517460646299} H10 16 1
8 {} {0.350694226078 0.551153951134 0.499731482967} O 17 1
1 {} {0.312338746687 0.872851622153 0.548057071709} 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