3:24 PM
generated by phonopy 1.0 4.0300339999999997 0.0000000000000000 0.0000000000000000 0.0000000000000000 4.0300339999999997 0.0000000000000000 0.0000000000000000 0.0000000000000000 5.7133940000000001 H He Li 4 2 2 Direct 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.5000000000000000 0.0000000000000000 0.2500000000000000 0.5000000000000000 0.5000000000000000 0.5000000000000000 0.0000000000000000 0.5000000000000000 0.7500000000000000
phonopy_version: '2.12.0' space_group_type: 'I-4m2' space_group_number: 119 point_group_type: '-42m' space_group_operations: - rotation: # 1 - [ 1, 0 , 0] - [ 0, 1 , 0] - [ 0, 0 , 1] translation: [ 0.00000, 0.00000, 0.00000 ] - rotation: # 2 - [ 0, -1 , 0] - [ 0, -1 , 1] - [ 1, -1 , 0] translation: [ 0.00000, 0.00000, 0.00000 ] - rotation: # 3 - [ 0, 1 ,-1] - [ 1, 0 ,-1] - [ 0, 0 ,-1] translation: [ 0.00000, 0.00000, 0.00000 ] - rotation: # 4 - [-1, 0 , 1]
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