iterations/neb0_image09_iter133.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 {} {0.471981097427 0.214737703957 0.494181815104} O1 1 1
14 {} {0.334828923559 0.216178363314 0.584759045607} Si1 2 1
14 {} {0.603805388176 0.299232582584 0.444478448116} Si2 3 1
8 {} {0.563024915738 0.452376474436 0.400335068499} O2 4 1
8 {} {0.326564216131 0.352234079979 0.677090265259} O3 5 1
14 {} {0.297613309236 0.51427796113 0.671083295279} Si3 6 1
14 {} {0.508475943927 0.598649311489 0.451522017702} Si4 7 1
1 {} {0.338342546417 0.0999409767493 0.676778510144} H1 8 1
1 {} {0.217751230711 0.210959148784 0.492780844949} H2 9 1
1 {} {0.658990044224 0.230545007281 0.325074370482} H3 10 1
1 {} {0.702615837442 0.306834341204 0.556005058938} H4 11 1
1 {} {0.151701364309 0.539207746529 0.656865174865} H5 12 1
1 {} {0.352357875942 0.573447964028 0.796091996734} H6 13 1
1 {} {0.322224614509 0.886827519375 0.416698543253} H7 14 1
1 {} {0.475097291805 0.677505795575 0.330628702823} H8 15 1
1 {} {0.612534980926 0.664829217363 0.535621312278} H10 16 1
8 {} {0.370899795448 0.581838373142 0.540591937444} O 17 1
1 {} {0.301276768117 0.852895401257 0.480471528613} 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