./iterations/neb0_image04_iter117.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 {} {0.466611197495 0.236923760234 0.490858034017} O1 1 1
14 {} {0.327343453763 0.227974141409 0.57670514477} Si1 2 1
14 {} {0.584318165468 0.341264821281 0.441743839141} Si2 3 1
8 {} {0.521968628858 0.488401172136 0.404696024564} O2 4 1
8 {} {0.318486216917 0.354931850201 0.680988616616} O3 5 1
14 {} {0.278201608765 0.512121799961 0.700697324977} Si3 6 1
14 {} {0.532427766085 0.653431028376 0.400670335253} Si4 7 1
1 {} {0.330869082193 0.101614861758 0.654201411501} H1 8 1
1 {} {0.210072533413 0.231057989894 0.485631328768} H2 9 1
1 {} {0.643634191094 0.281458173344 0.319162072372} H3 10 1
1 {} {0.685470624442 0.353311165882 0.551433566872} H4 11 1
1 {} {0.13039206915 0.530238682279 0.69512317022} H5 12 1
1 {} {0.341727282105 0.558705425227 0.826445433352} H6 13 1
1 {} {0.407599228057 0.73640608995 0.396402837254} H7 14 1
1 {} {0.594216342663 0.683844458514 0.269225903706} H8 15 1
1 {} {0.610087889761 0.702864994325 0.517290904491} H10 16 1
8 {} {0.339949661201 0.602359815081 0.577226552779} O 17 1
1 {} {0.286710134239 0.675607695792 0.542555497341} 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