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=196.3638122850707 stress="-36.69749112223011 -19.47555923594783 -5.979059172127018 -19.47555923594783 -47.32858868614603 -4.1587903613446215 -5.979059172127018 -4.1587903613446215 -17.865228390970064" pbc="T F F" Nh 0.24195650 0.08013568 0.07376597 -507.81145902 -689.86069566 -269.29604251 Nh 1.21639626 1.47941496 0.31708480 486.87324618 719.23430355 -18.48395461 Nh 1.21181462 0.01315591 1.79048615 143.36993282 -243.58448822 162.64743408 Nh -0.21707974 1.27123764 1.73311445 -122.43171998 214.21088034 125.13256304