iterations/neb0_image04_iter26.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 {} {0.469881915482 0.227524031384 0.482783464007} O1 1 1
14 {} {0.332491609499 0.238027312667 0.573330945018} Si1 2 1
14 {} {0.595339015188 0.325302584741 0.436605293322} Si2 3 1
8 {} {0.537864072677 0.478388007954 0.391422341342} O2 4 1
8 {} {0.332297134785 0.375422740526 0.659310581996} O3 5 1
14 {} {0.276652337518 0.523367105915 0.702662687821} Si3 6 1
14 {} {0.50925730298 0.645488035699 0.403680343398} Si4 7 1
1 {} {0.329859206182 0.115703195059 0.66180003386} H1 8 1
1 {} {0.215408742176 0.234455972658 0.479658656653} H2 9 1
1 {} {0.66469406237 0.24387622059 0.328188266506} H3 10 1
1 {} {0.692601496326 0.330603491858 0.552648910902} H4 11 1
1 {} {0.132216041976 0.516409599241 0.706758462696} H5 12 1
1 {} {0.340382828715 0.556681526627 0.826984092612} H6 13 1
1 {} {0.384565066593 0.742059566416 0.394719396161} H7 14 1
1 {} {0.567614804133 0.689852422314 0.273191339403} H8 15 1
1 {} {0.583647865535 0.678931408872 0.526415098759} H10 16 1
8 {} {0.328904217768 0.628926872194 0.578234755929} O 17 1
1 {} {0.31640841256 0.721497866988 0.552663339301} 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