./iterations/neb0_image06_iter173.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.475276632986 0.226159122433 0.486808193265} O1 1 1
14 {} {0.332033027901 0.220709547495 0.566963777938} Si1 2 1
14 {} {0.608383644041 0.315130160959 0.453305949926} Si2 3 1
8 {} {0.569098876275 0.472896152553 0.448378986595} O2 4 1
8 {} {0.30464258857 0.353901719786 0.659922545627} O3 5 1
14 {} {0.285789156677 0.517860021592 0.657085026395} Si3 6 1
14 {} {0.484884150276 0.61174734503 0.445629341602} Si4 7 1
1 {} {0.338144000089 0.10616738363 0.660006143037} H1 8 1
1 {} {0.224400320215 0.205603618996 0.464992451444} H2 9 1
1 {} {0.661672486768 0.282916913402 0.319133168114} H3 10 1
1 {} {0.707637884991 0.294822444116 0.561627774956} H4 11 1
1 {} {0.1436768774 0.543320021285 0.695606377683} H5 12 1
1 {} {0.3753120023 0.582920807498 0.756549989683} H6 13 1
1 {} {0.392756236146 0.819535104891 0.515830796737} H7 14 1
1 {} {0.470312281898 0.657393673624 0.304040878429} H8 15 1
1 {} {0.57968201231 0.704085861337 0.517629543473} H10 16 1
8 {} {0.330540390196 0.575465508234 0.507239861417} O 17 1
1 {} {0.325843367326 0.781882425413 0.510307245868} 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