24
Lattice="10.284223 0.0 0.045871 0.0 3.504211 0.0 -5.286121 0.0 14.835362" Properties=species:S:1:pos:R:3:forces:R:3 energy=-141.30499728302567 stress="0.000640989154283252 1.1064616605487253e-07 -1.4073908005884122e-05 1.1064616605487253e-07 0.0008686092421016635 1.0266019034700643e-07 -1.4073908005884122e-05 1.0266019034700643e-07 0.0015034805585081425" dipole="-4.0888178547485464e-05 -6.984546762578333e-05 0.00016445031259654016" pbc="T T T"
Nb       6.09473000       0.87605000       1.77222000      -0.00361799       0.00005454       0.03467164
Nb       2.22375000       2.62816000       3.09934000      -0.01211664      -0.00004156      -0.00852263
Nb       0.61181000       0.87605000       6.86627000      -0.03968261       0.00005657      -0.00854218
Nb       4.38629000       2.62816000       8.01497000       0.03969753      -0.00005657       0.00849556
Nb       2.77435000       0.87605000      11.78190000       0.01214919       0.00004156       0.00847816
Nb      -1.09663000       2.62816000      13.10901000       0.00367733      -0.00005454      -0.03461552
Se       4.22172000       2.62816000       1.02899000       0.08330322      -0.00002325      -0.00252712
Se       8.06291000       2.62816000       1.27856000      -0.11325369      -0.00001859       0.01211404
Se       1.31126000       0.87605000       1.32764000       0.08426421       0.00001678       0.11251494
Se       6.98274000       2.62816000       3.56096000      -0.04963265      -0.00002125      -0.16738672
Se       4.13098000       0.87605000       3.71768000      -0.06188106       0.00001660      -0.06186196
Se       0.45648000       0.87605000       4.11065000       0.12624622       0.00001934       0.02581952
Se       2.42681000       2.62816000       6.04060000      -0.07768229      -0.00002399       0.06128904
Se       5.46806000       0.87605000       6.30525000      -0.05760823       0.00002033       0.13996056
Se      -1.32247000       2.62816000       6.31153000       0.16809733      -0.00001969       0.05482725
Se       6.32057000       0.87605000       8.56971000      -0.16809858       0.00001969      -0.05482025
Se      -0.46996000       2.62816000       8.57599000       0.05761773      -0.00002033      -0.13995864
Se       2.57129000       0.87605000       8.84063000       0.07767530       0.00002399      -0.06123778
Se       4.54162000       2.62816000      10.77059000      -0.12623570      -0.00001934      -0.02585512
Se       0.86713000       2.62816000      11.16356000       0.06179651      -0.00001660       0.06182777
Se      -1.98464000       0.87605000      11.32027000       0.04964630       0.00002125       0.16740541
Se       3.68684000       2.62816000      13.55359000      -0.08424284      -0.00001678      -0.11242273
Se      -3.06480000       0.87605000      13.60268000       0.11319512       0.00001859      -0.01213619
Se       0.77638000       0.87605000      13.85225000      -0.08331396       0.00002325       0.00248295