iterations/neb0_image07_iter246.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.476238528751 0.221902643985 0.499222106831} O1 1 1
14 {} {0.335819951839 0.213573125379 0.583785129753} Si1 2 1
14 {} {0.615171699008 0.296267768626 0.454684099221} Si2 3 1
8 {} {0.590645771438 0.456079985225 0.427849645071} O2 4 1
8 {} {0.312155880511 0.35074984026 0.670683286484} O3 5 1
14 {} {0.291155299219 0.511999582786 0.647075747208} Si3 6 1
14 {} {0.497154060262 0.590288543754 0.430894041573} Si4 7 1
1 {} {0.342278113049 0.10126028921 0.679740674595} H1 8 1
1 {} {0.224818646699 0.195417290586 0.486201335513} H2 9 1
1 {} {0.65967323578 0.232827073141 0.328358226255} H3 10 1
1 {} {0.717385943002 0.284390466188 0.562092999202} H4 11 1
1 {} {0.146920004695 0.54640404737 0.646661944095} H5 12 1
1 {} {0.364854822993 0.579587102836 0.757158754176} H6 13 1
1 {} {0.339120180379 0.928521021282 0.503105721025} H7 14 1
1 {} {0.471095509214 0.634966435691 0.291678943036} H8 15 1
1 {} {0.564199153618 0.694998199941 0.512621389547} H10 16 1
8 {} {0.350681827187 0.557056099238 0.500591425633} O 17 1
1 {} {0.310717226026 0.876228311505 0.548652263178} 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