博文
使用lammps创建FCC面心立方单晶体结构
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| ## LAMMPS input script for building a face-centered-cubic single crystal | |
| log log.singlecrystal | |
| units metal | |
| atom_style atomic | |
| boundary p p p | |
| lattice fcc 6.5 | |
| region crystal_box block 0 10 0 10 0 10 units lattice | |
| create_box 1 crystal_box | |
| create_atoms 1 region crystal_box | |
| mass * 100 | |
| velocity all create 300.0 12345 | |
| write_dump all custom dump.singlecrystal id type x y z vx vy vz | |
| quit |
https://blog.sciencenet.cn/blog-3437453-1301615.html
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