# Details of computing
0: PEJXIN.cif
1: PEJXOT.cif
2: PEJXUZ.cif
3: PEJYAG.cif
-------------------------------------
0
1
2
3
0
0.0000
54.1051
53.9636
53.8688
1
54.1051
0.0000
5.3660
0.3434
2
53.9636
5.3660
0.0000
6.8625
3
53.8688
0.3434
6.8625
0.0000