./iterations/neb0_image02_iter4.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.46799313955 0.241088828699 0.474826519349} O1 1 1
14 {} {0.328366555415 0.24715458648 0.560607888251} Si1 2 1
14 {} {0.603010670872 0.323705067749 0.434030459368} Si2 3 1
8 {} {0.56419713928 0.470570386873 0.369436942153} O2 4 1
8 {} {0.331400583931 0.373758617846 0.658579360484} O3 5 1
14 {} {0.268712606947 0.512725845029 0.724756882902} Si3 6 1
14 {} {0.521507535967 0.632031709661 0.379594666932} Si4 7 1
1 {} {0.31991705554 0.124760523491 0.643916699604} H1 8 1
1 {} {0.214443051709 0.257629505209 0.46587267373} H2 9 1
1 {} {0.673335162563 0.245896743012 0.329551988816} H3 10 1
1 {} {0.687248868944 0.344747782194 0.554589928437} H4 11 1
1 {} {0.123566814973 0.492500897261 0.737573844455} H5 12 1
1 {} {0.341960338871 0.535735215548 0.848375300611} H6 13 1
1 {} {0.379344729196 0.713089308756 0.342630516412} H7 14 1
1 {} {0.598148148472 0.700937412827 0.277581780107} H8 15 1
1 {} {0.565696728103 0.686815942204 0.509737855439} H10 16 1
8 {} {0.290318526327 0.646486851032 0.618614796727} O 17 1
1 {} {0.330918483548 0.722882736264 0.60077989601} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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