./iterations/neb0_image07_iter264.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 {} {0.478825417041 0.212918302009 0.501694035575} O1 1 1
14 {} {0.336834489684 0.211512055661 0.585544939958} Si1 2 1
14 {} {0.613458920864 0.293952906625 0.454841922264} Si2 3 1
8 {} {0.582774726938 0.453412882042 0.429773937858} O2 4 1
8 {} {0.313443653198 0.353001691199 0.66467910349} O3 5 1
14 {} {0.290258707718 0.51524625473 0.646885102708} Si3 6 1
14 {} {0.496574470527 0.592178322565 0.430381678151} Si4 7 1
1 {} {0.342423153507 0.105171438538 0.688667784084} H1 8 1
1 {} {0.227863370202 0.189298261261 0.485847962091} H2 9 1
1 {} {0.662081255323 0.234909332566 0.327201045846} H3 10 1
1 {} {0.716115145178 0.281704840895 0.561982461091} H4 11 1
1 {} {0.144267024374 0.542088722307 0.647620816748} H5 12 1
1 {} {0.362924843715 0.583280187013 0.758301820734} H6 13 1
1 {} {0.337628939056 0.927507690048 0.498600427124} H7 14 1
1 {} {0.471693699222 0.635507676649 0.290792416448} H8 15 1
1 {} {0.573074229557 0.694130206779 0.505969442711} H10 16 1
8 {} {0.349926897499 0.566756856375 0.502264772656} O 17 1
1 {} {0.309916861656 0.879940210885 0.550008028039} 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