iterations/neb0_image08_iter203.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471403490438 0.226954937788 0.493124032873} O1 1 1
14 {} {0.330104475081 0.219612123678 0.576614897536} Si1 2 1
14 {} {0.612549643987 0.298534564037 0.450267296815} Si2 3 1
8 {} {0.590453002112 0.457416581967 0.414201623839} O2 4 1
8 {} {0.313806441182 0.348450566972 0.677951823565} O3 5 1
14 {} {0.300339465518 0.512548131437 0.671415514888} Si3 6 1
14 {} {0.512525577092 0.597541144682 0.449324848838} Si4 7 1
1 {} {0.331162305405 0.0967028428789 0.660140936723} H1 8 1
1 {} {0.218444066511 0.219921114982 0.477887165493} H2 9 1
1 {} {0.663572417707 0.231008480351 0.328125059078} H3 10 1
1 {} {0.708595845232 0.289376027171 0.563809796788} H4 11 1
1 {} {0.156915015588 0.551070401519 0.660970044922} H5 12 1
1 {} {0.364399580534 0.568288891816 0.793773384632} H6 13 1
1 {} {0.313602206461 0.901001267184 0.47049428043} H7 14 1
1 {} {0.470977020699 0.659071650171 0.320646743154} H8 15 1
1 {} {0.603509324109 0.685626178556 0.52844722697} H10 16 1
8 {} {0.37614785777 0.568821206406 0.537262543828} O 17 1
1 {} {0.271578522596 0.840571754829 0.456600539943} 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