iterations/neb0_image04_iter64.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 {} {0.4677651145 0.22765712436 0.482714717251} O1 1 1
14 {} {0.330501690768 0.233131399268 0.573482528626} Si1 2 1
14 {} {0.586507147196 0.333444982312 0.438107375684} Si2 3 1
8 {} {0.52066919339 0.478677183327 0.401846144607} O2 4 1
8 {} {0.328288412315 0.365851761815 0.67077876198} O3 5 1
14 {} {0.277889220231 0.518128603848 0.701308590933} Si3 6 1
14 {} {0.523206930847 0.644987262031 0.404568385781} Si4 7 1
1 {} {0.330783164587 0.116718579946 0.665096375226} H1 8 1
1 {} {0.212796616258 0.233702793611 0.48137600319} H2 9 1
1 {} {0.652806635128 0.274367525803 0.318040541381} H3 10 1
1 {} {0.684650060119 0.349329832398 0.550716226453} H4 11 1
1 {} {0.129388511824 0.527988411264 0.702107053917} H5 12 1
1 {} {0.338317217281 0.563309108855 0.829128957582} H6 13 1
1 {} {0.395962402779 0.725485866145 0.394722326051} H7 14 1
1 {} {0.581883320405 0.683679846932 0.27624175226} H8 15 1
1 {} {0.602487611961 0.693179946934 0.520733145405} H10 16 1
8 {} {0.338952715361 0.60912529285 0.576809886853} O 17 1
1 {} {0.307230162091 0.693752444633 0.54327922589} 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