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unitcell:
lattice:
- [ 8.000000000000000, 0.000000000000000, 0.000000000000000 ] # a
- [ 0.000000000000000, 8.000000000000000, 0.000000000000000 ] # b
- [ 0.000000000000000, 0.000000000000000, 8.000000000000000 ] # c
points:
- number: 1 # 1
coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ]
- number: 1 # 2
coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ]
- number: 1 # 3
coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ]
- number: 1 # 4
coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]
- number: 1 # 5
coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ]
- number: 1 # 6
coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ]
- number: 1 # 7
coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ]
- number: 1 # 8
coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ]
- number: 1 # 9
coordinates: [ 0.000000000000000, 0.250000000000000, 0.250000000000000 ]
- number: 1 # 10
coordinates: [ 0.500000000000000, 0.250000000000000, 0.250000000000000 ]
- number: 1 # 11
coordinates: [ 0.000000000000000, 0.750000000000000, 0.250000000000000 ]
- number: 1 # 12
coordinates: [ 0.500000000000000, 0.750000000000000, 0.250000000000000 ]
- number: 1 # 13
coordinates: [ 0.000000000000000, 0.250000000000000, 0.750000000000000 ]
- number: 1 # 14
coordinates: [ 0.500000000000000, 0.250000000000000, 0.750000000000000 ]
- number: 1 # 15
coordinates: [ 0.000000000000000, 0.750000000000000, 0.750000000000000 ]
- number: 1 # 16
coordinates: [ 0.500000000000000, 0.750000000000000, 0.750000000000000 ]
- number: 1 # 17
coordinates: [ 0.250000000000000, 0.000000000000000, 0.250000000000000 ]
- number: 1 # 18
coordinates: [ 0.750000000000000, 0.000000000000000, 0.250000000000000 ]
- number: 1 # 19
coordinates: [ 0.250000000000000, 0.500000000000000, 0.250000000000000 ]
- number: 1 # 20
coordinates: [ 0.750000000000000, 0.500000000000000, 0.250000000000000 ]
- number: 1 # 21
coordinates: [ 0.250000000000000, 0.000000000000000, 0.750000000000000 ]
- number: 1 # 22
coordinates: [ 0.750000000000000, 0.000000000000000, 0.750000000000000 ]
- number: 1 # 23
coordinates: [ 0.250000000000000, 0.500000000000000, 0.750000000000000 ]
- number: 1 # 24
coordinates: [ 0.750000000000000, 0.500000000000000, 0.750000000000000 ]
- number: 1 # 25
coordinates: [ 0.250000000000000, 0.250000000000000, 0.000000000000000 ]
- number: 1 # 26
coordinates: [ 0.750000000000000, 0.250000000000000, 0.000000000000000 ]
- number: 1 # 27
coordinates: [ 0.250000000000000, 0.750000000000000, 0.000000000000000 ]
- number: 1 # 28
coordinates: [ 0.750000000000000, 0.750000000000000, 0.000000000000000 ]
- number: 1 # 29
coordinates: [ 0.250000000000000, 0.250000000000000, 0.500000000000000 ]
- number: 1 # 30
coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ]
- number: 1 # 31
coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ]
- number: 1 # 32
coordinates: [ 0.750000000000000, 0.750000000000000, 0.500000000000000 ]
|
