iterations/neb0_image05_iter1.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 {} {0.469620888554 0.230050221385 0.484133113875} O1 1 1
14 {} {0.331690290852 0.234570239611 0.57286666782} Si1 2 1
14 {} {0.603713710374 0.31274734799 0.438288848636} Si2 3 1
8 {} {0.565458192726 0.461286193088 0.381563599979} O2 4 1
8 {} {0.328147886367 0.368821935174 0.66625231589} O3 5 1
14 {} {0.278543685227 0.512008037386 0.701441080561} Si3 6 1
14 {} {0.521650744788 0.615616117748 0.405521154257} Si4 7 1
1 {} {0.33002762054 0.116998731317 0.661985153929} H1 8 1
1 {} {0.216363256702 0.235288040639 0.480203829928} H2 9 1
1 {} {0.666655030978 0.237309153225 0.328353542883} H3 10 1
1 {} {0.694183592674 0.327563933067 0.554614085988} H4 11 1
1 {} {0.133674591725 0.50910545124 0.704795557202} H5 12 1
1 {} {0.343618809657 0.551118290452 0.826518613838} H6 13 1
1 {} {0.352943634314 0.793979881048 0.367697831179} H7 14 1
1 {} {0.553310320748 0.689100187631 0.297409309291} H8 15 1
1 {} {0.582735255246 0.676782829471 0.516792532974} H10 16 1
8 {} {0.316529964327 0.614430848104 0.592120847284} O 17 1
1 {} {0.3212186642 0.785740521424 0.550499914487} 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