./iterations/neb0_image06_iter248.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 {} {0.474051543219 0.235236849203 0.49238996917} O1 1 1
14 {} {0.327767517842 0.217452027653 0.563645519652} Si1 2 1
14 {} {0.607119810477 0.326715897141 0.464420080083} Si2 3 1
8 {} {0.578926085671 0.484657875797 0.493655835184} O2 4 1
8 {} {0.283650614781 0.352199389586 0.645943788664} O3 5 1
14 {} {0.282907950727 0.516109031738 0.651483436003} Si3 6 1
14 {} {0.490406307942 0.615047749357 0.449798287627} Si4 7 1
1 {} {0.336374993067 0.109397174684 0.663923982431} H1 8 1
1 {} {0.22796471981 0.186017090205 0.458417853329} H2 9 1
1 {} {0.647776769234 0.313593017367 0.321812121121} H3 10 1
1 {} {0.714272382756 0.285031217527 0.557780223456} H4 11 1
1 {} {0.146709170026 0.547703255376 0.702605575289} H5 12 1
1 {} {0.383584684113 0.572995673022 0.742832704522} H6 13 1
1 {} {0.389087504089 0.80837293914 0.521648262518} H7 14 1
1 {} {0.474000724842 0.635868032508 0.304668102073} H8 15 1
1 {} {0.59298522713 0.718596695604 0.490334633769} H10 16 1
8 {} {0.328620276373 0.57787104886 0.504071016417} O 17 1
1 {} {0.323879697064 0.76965302953 0.501626813877} 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