File: NaCl-castep.yaml

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phonopy 2.44.0-1
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file content (29 lines) | stat: -rw-r--r-- 1,152 bytes parent folder | download | duplicates (3) 
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lattice:
- [     5.555903030347210,     0.000000000000000,    0.000000000000000 ] # a
- [     0.000000000000000,     5.555903030347210,    0.000000000000000 ] # b
- [     0.000000000000000,     0.000000000000000,    5.555903030347210 ] # c
points:
- symbol: Na # 1
  coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]
  mass: 22.989769
- symbol: Na # 2
  coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]
  mass: 22.989769
- symbol: Na # 3
  coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]
  mass: 22.989769
- symbol: Na # 4
  coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]
  mass: 22.989769
- symbol: Cl # 5
  coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]
  mass: 35.453000
- symbol: Cl # 6
  coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]
  mass: 35.453000
- symbol: Cl # 7
  coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]
  mass: 35.453000
- symbol: Cl # 8
  coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]
  mass: 35.453000