./iterations/neb0_image08_iter115.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 {} {0.471204127131 0.221078971255 0.48955738673} O1 1 1
14 {} {0.332101019705 0.220757208863 0.577197287682} Si1 2 1
14 {} {0.604374645501 0.306233559446 0.445247811867} Si2 3 1
8 {} {0.56466047795 0.459460720682 0.402735559135} O2 4 1
8 {} {0.326303896477 0.350945152738 0.677876704219} O3 5 1
14 {} {0.299688085027 0.513022432442 0.676031536026} Si3 6 1
14 {} {0.506725516413 0.60410405665 0.453745411647} Si4 7 1
1 {} {0.32859777265 0.0982891320466 0.661367784187} H1 8 1
1 {} {0.216852610318 0.227535464455 0.483013103641} H2 9 1
1 {} {0.66273417216 0.240513196459 0.326116395256} H3 10 1
1 {} {0.699298111985 0.313465552033 0.559500844698} H4 11 1
1 {} {0.153995149232 0.53939820976 0.665921381324} H5 12 1
1 {} {0.356617388278 0.569057022404 0.801172514947} H6 13 1
1 {} {0.332491548708 0.856594779508 0.423379403597} H7 14 1
1 {} {0.473920227205 0.680767353613 0.331235651926} H8 15 1
1 {} {0.609175309629 0.674690472423 0.535799671607} H10 16 1
8 {} {0.372463582595 0.580457074066 0.544710165395} O 17 1
1 {} {0.298882528318 0.816147622948 0.476449326811} 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