4
Lattice="3.981677 0.0 0.0 0.0 3.981677 0.0 0.0 0.0 3.981677" Properties=species:S:1:pos:R:3:forces:R:3 energy=-25.825982899104055 stress="-0.029623805008502153 -8.06111910411101e-06 -8.061119104110985e-06 -8.06111910411101e-06 -0.029623805008502157 -8.061119104111191e-06 -8.061119104110985e-06 -8.061119104111191e-06 -0.029623805008502164" dipole="1.4515253968400473e-07 -1.1820732415744084e-07 -1.207410770375545e-07" pbc="T T T"
F        1.99084000       0.00000000       0.00000000      -0.00002196       0.00000283       0.00000283
F        0.00000000       1.99084000       0.00000000       0.00000283      -0.00002196       0.00000283
F        0.00000000       0.00000000       1.99084000       0.00000283       0.00000283      -0.00002196
Sc       0.00000000       0.00000000       0.00000000       0.00001621       0.00001621       0.00001621