Inquiry on the Calculation Method for Calcium-to-Silicon (C/Si) Ratio in Simulation

[dapang201]

I hope this message finds you well. I am currently analyzing the output of my simulation using [software/tool name], and I noticed that the reported calcium-to-silicon ratio (C/Si) differs from my initial manual calculation based on the total number of calcium and silicon atoms.

Specifically:

• The atom counts are Ca = 672 and Si = 838, which results in a C/Si ratio of approximately 0.8.
• However, the simulation output indicates a C/Si ratio of 1.2 .