iterations/neb0_image09_iter207.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 {} {0.47205814013 0.215581822978 0.493873062595} O1 1 1
14 {} {0.333245235105 0.21496058125 0.58162680084} Si1 2 1
14 {} {0.606005999497 0.297176128322 0.444786017512} Si2 3 1
8 {} {0.569751115124 0.451813361669 0.402423639481} O2 4 1
8 {} {0.322805423158 0.34912568287 0.676842448166} O3 5 1
14 {} {0.299784867474 0.512031538053 0.673250195247} Si3 6 1
14 {} {0.511354053558 0.597165816277 0.452662693388} Si4 7 1
1 {} {0.33480195459 0.096611412546 0.671170723539} H1 8 1
1 {} {0.218405861543 0.212184042919 0.486644925413} H2 9 1
1 {} {0.659352199506 0.228923399657 0.324255938248} H3 10 1
1 {} {0.705219496959 0.300167848046 0.556115625421} H4 11 1
1 {} {0.154658410522 0.542187569017 0.659381809834} H5 12 1
1 {} {0.357178389501 0.568036298116 0.798649918508} H6 13 1
1 {} {0.317431488822 0.910405497074 0.429324765186} H7 14 1
1 {} {0.474040529377 0.674227983131 0.331492102591} H8 15 1
1 {} {0.615074054095 0.666448189621 0.53445354914} H10 16 1
8 {} {0.375369816578 0.578371260913 0.543469921678} O 17 1
1 {} {0.283549069584 0.857099518773 0.470633508957} 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