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:Z:I:1:forces:R:3 energy=1269.872192911016 pbc="F F T" Kr -0.17428855 -0.16466555 -0.25851365 36 -1217.02558087 -4387.38947849 3892.42088906 Kr 1.33257245 1.51562610 -0.05399199 36 524.44889962 453.43423027 442.95830331 Kr 1.22329650 -0.03624564 1.60653746 36 1902.31170022 -637.02202089 -1260.10388122 Kr -0.24440284 1.20178472 1.79874826 36 -1209.73501897 4570.97726911 -3075.27531114