4
Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=14.850306176084466 stress="-2.265043673062659 -0.4119195950232522 0.05913175499038952 -0.4119195950232522 -2.253955748901643 -0.31372362490020156 0.05913175499038952 -0.31372362490020156 -2.4300699481339736" free_energy=14.850306176084466 pbc="T F T"
Ne      -0.11174318       0.19178619       0.17895518      17.52063915     -22.23790947     -19.58168035
Ne       1.79140871       1.61455359       0.09583508     -19.04325559      15.64310186      -9.23310641
Ne       1.64904689       0.10609294       1.46603997     -30.02568911     -25.62731230       9.00674950
Ne      -0.19401975       1.32157598       1.51361598      31.54830555      32.22211991      19.80803726