why the box is so large?

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1

Hi, everyone, I used the triclinic box in my simulation. The parameter is as bellow:
0.0 109.26343 xlo xhi
0 64.14413 ylo yhi
0 21.97867 zlo zhi
-36.825 0.0 0.0 xy xz yz

The simulation system is as bellow:
![C]4%4E]X@…5644…}9D67I1C0}Y.png|403x314](upload://ylVKXZzOxgHe5b4ilJCPUg7vYK2.png)
The box is so large. Will it have any influence on the simulation? For example, lost atoms. How can I shrink it?
Thanks very much!
yours sincerely,
jane

2

Hi, everyone, I used the triclinic box in my simulation. The parameter is
as bellow:
0.0 109.26343 xlo xhi
     0 64.14413 ylo yhi
     0 21.97867 zlo zhi
-36.825 0.0 0.0 xy xz yz
The simulation system is as bellow:
The box is so large. Will it have any influence on the simulation? For
example, lost atoms. How can I shrink it?

​using the change_box command? ​

Thanks very much!

![C]4%4E]X@…5644…}9D67I1C0}Y.png|403x314](upload://ylVKXZzOxgHe5b4ilJCPUg7vYK2.png)

3

Hi

I have used triclinic box in my simulations before, and the only problem I faced that time was thermal instability. For the same element and potential, box in orthogonal state was stable and became unstable when I changed the geometry (I do not have any explanation for this behavior)

Regards
Afshin

![C]4%4E]X@…5644…}9D67I1C0}Y.png|403x314](upload://ylVKXZzOxgHe5b4ilJCPUg7vYK2.png)

4

The coments are of little use if no info is provided about the simulation protocol: aiming to model a bulk system? interactions cutoff? system size? what do you mean by unstable?

Carlos

![C]4%4E]X@…5644…}9D67I1C0}Y.png|403x314](upload://ylVKXZzOxgHe5b4ilJCPUg7vYK2.png)

5

Hi, Axel, Afshin and Carlos, Thanks very much for your suggestions. The problem was solved by translation all atoms along the X-axis. Best wishes!
yours sincerely,
jane

![C]4%4E]X@…5644…}9D67I1C0}Y.png|403x314](upload://ylVKXZzOxgHe5b4ilJCPUg7vYK2.png)