Generalized Structure Unit Cell

This is a hotfix to address a convention problem in the Structure -> Energy mapping. In our initial release we had assumed that unit cells followed the specification as outlined in: Coordinate System Transformation. Essentially, this code assumed the unit cell parallelepiped was specified as a diagonal matrix, requiring that b and c vertices be specified relative to the a vertex.

Generally, this will be true for the majority of unit cell specification, however, we have now generalized it to allow for arbitrary specification of the unit cell. If your systems were cubic or followed the specification as outlined above, this update is unnecessary, however, it will produce the same results as v1.0.

We have tested this version on structures used in the original paper and have verified the generality of the code by rotating the unit cell arbitrarily in space. Energy predictions and g-vectors are predicted to be the same as those produced in v1.0 for any rotated unit cell.