The script will ask you to provide a lattice constant (for the fcc system), a highest and lowest strain (also negative strain i.e. compression) and how many datapoints you would like to evaluate.
The data is written to `data_elastic_constants`. Plot the data and fit a 2nd order polynomial to calccalcualte the elastic constants.
## Running NVE/NPT simulations
Run using:
`python3 deform_cnt_nve.py`
and
`python3 deform_cnt_npt.py`
the results are written to the folders `data_cnt_sim/nve_deform/cnt_nve_data.csv` and `data_cnt_sim/npt_deform/cnt_npt_data.csv` accordingly.
