./iterations/neb0_image04_iter233.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 {} {0.465131263642 0.2606199288 0.490592505047} O1 1 1
14 {} {0.325016881534 0.229445681087 0.569559537129} Si1 2 1
14 {} {0.595532988295 0.348768063413 0.447063390346} Si2 3 1
8 {} {0.552380056156 0.504171581634 0.425071048851} O2 4 1
8 {} {0.28781242762 0.346736436839 0.677439629263} O3 5 1
14 {} {0.245334612639 0.503222717176 0.702691505009} Si3 6 1
14 {} {0.576032756076 0.665543840182 0.399691159147} Si4 7 1
1 {} {0.342863532446 0.102797480952 0.646073767107} H1 8 1
1 {} {0.217254200689 0.214764270239 0.467815792419} H2 9 1
1 {} {0.646742977929 0.291231506188 0.320616645899} H3 10 1
1 {} {0.698911012663 0.343039497557 0.553035791891} H4 11 1
1 {} {0.105949597948 0.513701260193 0.75336177613} H5 12 1
1 {} {0.345034439606 0.559137469641 0.798647380598} H6 13 1
1 {} {0.448862938666 0.737136641701 0.43177043997} H7 14 1
1 {} {0.615472931673 0.690832755457 0.257640338258} H8 15 1
1 {} {0.68742840391 0.716233309771 0.486883604806} H10 16 1
8 {} {0.252325178456 0.581326136612 0.55607026496} O 17 1
1 {} {0.20199977502 0.66380925966 0.547033629015} 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