iterations/neb0_image05_iter77.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.469161837082 0.223434080573 0.486493271013} O1 1 1
14 {} {0.331877951527 0.225320574911 0.574734563683} Si1 2 1
14 {} {0.589406712062 0.329815753144 0.443475537375} Si2 3 1
8 {} {0.528007742171 0.477902880821 0.41806902108} O2 4 1
8 {} {0.32824418878 0.357832144102 0.674458268192} O3 5 1
14 {} {0.28902642055 0.516255119088 0.683453869091} Si3 6 1
14 {} {0.503578325557 0.645116231937 0.428508363306} Si4 7 1
1 {} {0.327336449232 0.106027255372 0.662545292522} H1 8 1
1 {} {0.215404668161 0.232740983262 0.483080666443} H2 9 1
1 {} {0.652687724712 0.277363193147 0.318974652133} H3 10 1
1 {} {0.686433879629 0.337737652453 0.556079967568} H4 11 1
1 {} {0.141877205385 0.540252651912 0.676836455366} H5 12 1
1 {} {0.352082005653 0.572612372108 0.8067039726} H6 13 1
1 {} {0.394321540571 0.767651929186 0.432415445997} H7 14 1
1 {} {0.533520129874 0.676436557889 0.286652260976} H8 15 1
1 {} {0.598755542344 0.696086525259 0.531658647638} H10 16 1
8 {} {0.346377514255 0.597617527811 0.548185092673} O 17 1
1 {} {0.321986264947 0.692314511415 0.518732637463} 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