Design of crystolecules

This page is about issues with the design of crystolecules / DMEs.
For a definition of what they are see here: "What are crystolecules DMEs?"

Some things to take care of

avoid quartz like solid CO₂ or the like

Too much oxygen must not be brought in direct bonding contact with carbon atoms since this may practically represent solid CO₂ which will likely behave like an explosive. The same goes for other combinations that are known to be highly energetic from normal cemistry. Some examples: room temperature solid nitrogen (in sp3 hybridisation), oxygen chains, ...

avoid elements left of the carbon group (at least for now)

Electron deficiency bonds are misrepresented nanoengineer-1's current force field models. A nitrogen atom adjacent to a boron atom embedded in a diamond crystal shouldn't strongly repel each other but instead beahve almost like carbon atoms since the boron has the space for the nitrogens excess electron. Since aluminium is to an electron deficient element it is likely to misbehave the same way as boron does in the nanoengineer-1 model. A safe way to go is to not use them yet in crystolecule designs.

avoid too high interface pressure in sleeve bearings

If the fit gets too tight the atom "teeth" may jump without energy recuperation and it will work as friction unit instead.

check for too strained spots in auto-generated passivation layers

Concave edges passivated with hydrogen sometimes causes the hydrogen atoms to massively overlap. Sometimes two hydrogens can be replaced by a oxygen bridge but this introduces tension that may detrimentally deform the crystolecule. Alternating with oxygen with its bigger cousin sulphur or nitrogen with phosphor might help in some cases.

Since passivation atoms add thickness it can be tricky to create parts complementary in shape. [todo: collect some tricks here how this can be made easier]