./iterations/neb0_image04_iter14.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.469257875381 0.229315353504 0.481732286089} O1 1 1
14 {} {0.331243851953 0.23403015071 0.569706578332} Si1 2 1
14 {} {0.602194014976 0.316668282175 0.437365921305} Si2 3 1
8 {} {0.554586676264 0.467332036644 0.382400347903} O2 4 1
8 {} {0.331781274486 0.371245645975 0.665717655966} O3 5 1
14 {} {0.277908325489 0.526100686703 0.69954735833} Si3 6 1
14 {} {0.510227807401 0.63470276151 0.400815895968} Si4 7 1
1 {} {0.328653417647 0.115532356578 0.660006080154} H1 8 1
1 {} {0.21455850666 0.237918504958 0.476607840663} H2 9 1
1 {} {0.667966096483 0.238912538753 0.32750838907} H3 10 1
1 {} {0.693854086451 0.330630137407 0.555305478713} H4 11 1
1 {} {0.126102540537 0.50710283557 0.712236417072} H5 12 1
1 {} {0.344050296932 0.550212140894 0.83582150462} H6 13 1
1 {} {0.367857376626 0.76264873616 0.376011171283} H7 14 1
1 {} {0.567643986178 0.693598495909 0.278866165728} H8 15 1
1 {} {0.582854100633 0.678843686654 0.525755310859} H10 16 1
8 {} {0.320365650753 0.641491929855 0.583727613757} O 17 1
1 {} {0.318980250073 0.736231684027 0.561925987129} 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