iterations/neb0_image02_iter167.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.463960390201 0.252256335816 0.489721878016} O1 1 1
14 {} {0.328582437933 0.239547027269 0.581253063644} Si1 2 1
14 {} {0.586461850177 0.343351617164 0.43011362759} Si2 3 1
8 {} {0.529155169846 0.485045892372 0.370305442718} O2 4 1
8 {} {0.319274506504 0.362250488182 0.689875470828} O3 5 1
14 {} {0.252160206427 0.508409212893 0.725523511875} Si3 6 1
14 {} {0.549881769309 0.648310961875 0.362892471533} Si4 7 1
1 {} {0.336732202149 0.111318064801 0.656098065359} H1 8 1
1 {} {0.210320485994 0.242327851587 0.490715988637} H2 9 1
1 {} {0.648178266872 0.266311920018 0.319300924955} H3 10 1
1 {} {0.684698683202 0.372087465752 0.538818959094} H4 11 1
1 {} {0.105933841235 0.49171106101 0.741257411918} H5 12 1
1 {} {0.31910740024 0.557066772663 0.849451999458} H6 13 1
1 {} {0.421561845253 0.712183447872 0.321448172403} H7 14 1
1 {} {0.657200116248 0.681967223326 0.265409349698} H8 15 1
1 {} {0.589002363313 0.701323082827 0.497128660253} H10 16 1
8 {} {0.26759533982 0.616840520467 0.601360162515} O 17 1
1 {} {0.340279211201 0.680208981593 0.600382992785} 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