iterations/neb0_image09_iter33.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.471822820525 0.213890528604 0.494533340815} O1 1 1
14 {} {0.335887028199 0.216999605156 0.587035820042} Si1 2 1
14 {} {0.602643936465 0.298798150069 0.444738134125} Si2 3 1
8 {} {0.558378589044 0.451119027218 0.401855037226} O2 4 1
8 {} {0.329076989793 0.355786973204 0.674073605257} O3 5 1
14 {} {0.296323501175 0.516783305524 0.668474117504} Si3 6 1
14 {} {0.507504407919 0.599141130206 0.450061618031} Si4 7 1
1 {} {0.341861916331 0.10457766205 0.683284786063} H1 8 1
1 {} {0.218061998285 0.208173633778 0.496708862093} H2 9 1
1 {} {0.658447887751 0.229681391802 0.32609042953} H3 10 1
1 {} {0.702644313544 0.307854791322 0.554744441267} H4 11 1
1 {} {0.149322565523 0.535911537887 0.659917887144} H5 12 1
1 {} {0.347270300152 0.57441066611 0.795594465577} H6 13 1
1 {} {0.323321338548 0.879973669421 0.412053307263} H7 14 1
1 {} {0.483028967589 0.674922866767 0.325219865194} H8 15 1
1 {} {0.610374798967 0.665640391818 0.53618462293} H10 16 1
8 {} {0.367318922217 0.585218715625 0.538059822387} O 17 1
1 {} {0.306795883081 0.853633896894 0.482427832496} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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