./iterations/neb0_image04_iter21.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.469876548843 0.227272106415 0.481993964697} O1 1 1
14 {} {0.33178705979 0.236892332741 0.572743393236} Si1 2 1
14 {} {0.598879496737 0.321392128973 0.436676546362} Si2 3 1
8 {} {0.545204322606 0.474064137356 0.387404473893} O2 4 1
8 {} {0.331268621123 0.375844039145 0.663175694312} O3 5 1
14 {} {0.278715369261 0.526218737713 0.697533814037} Si3 6 1
14 {} {0.509296563167 0.642671085708 0.401252024972} Si4 7 1
1 {} {0.329405030087 0.114542439953 0.661408259953} H1 8 1
1 {} {0.21455872667 0.235582934611 0.477855624049} H2 9 1
1 {} {0.666584325127 0.240550189193 0.327665359417} H3 10 1
1 {} {0.693725367902 0.329980947834 0.554368946189} H4 11 1
1 {} {0.129691871768 0.512174345362 0.708999750154} H5 12 1
1 {} {0.342058668883 0.553745633666 0.83087653636} H6 13 1
1 {} {0.376554153955 0.752144600192 0.386804894321} H7 14 1
1 {} {0.567044996537 0.69086410904 0.276208914302} H8 15 1
1 {} {0.583434688234 0.678078572916 0.526726693839} H10 16 1
8 {} {0.324693883771 0.63326699522 0.582289815228} O 17 1
1 {} {0.317306439729 0.727232628857 0.557073301894} 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