iterations/neb0_image09_iter178.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
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@end
@data
8 {} {0.472038238451 0.216522284018 0.494016555062} O1 1 1
14 {} {0.333593657166 0.215590889199 0.582386002706} Si1 2 1
14 {} {0.605575675817 0.298350062824 0.444545236799} Si2 3 1
8 {} {0.568023398029 0.452416545162 0.40086060645} O2 4 1
8 {} {0.323217347933 0.349221592963 0.678149984779} O3 5 1
14 {} {0.299052963575 0.511818955607 0.673208214558} Si3 6 1
14 {} {0.510321585548 0.597663465547 0.452044648733} Si4 7 1
1 {} {0.335744796736 0.0969841488171 0.671431131338} H1 8 1
1 {} {0.218247829919 0.212888821631 0.48801252838} H2 9 1
1 {} {0.659518438603 0.229155057571 0.324904881311} H3 10 1
1 {} {0.704572164494 0.302148734741 0.556056549403} H4 11 1
1 {} {0.154012494797 0.540800846038 0.659106637673} H5 12 1
1 {} {0.355486722187 0.568207151517 0.798479915284} H6 13 1
1 {} {0.319069064382 0.904559678638 0.425626834996} H7 14 1
1 {} {0.474003294476 0.676351443208 0.331955323794} H8 15 1
1 {} {0.614737483256 0.665468779861 0.533775368195} H10 16 1
8 {} {0.374687892859 0.578455582935 0.542573017691} O 17 1
1 {} {0.288183059599 0.855913879586 0.473924273801} 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 0
15 6 0 0
16 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
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5 15 6 {0 0 0} 0
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7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end