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=0.9796285374909127 stress="-5.465171151592468 3.054983891017825 0.7269067156980853 3.054983891017825 -4.963114537817558 0.14119349404713333 0.7269067156980853 0.14119349404713333 -2.896048633235286" pbc="F F F" Ne -0.23264389 -0.10631021 -0.25851365 -0.61167239 -0.22861775 -0.74297808 Ne 1.58611608 1.53369179 0.02598936 0.40561485 1.11376084 -0.91624993 Ne 1.22329650 -0.03624564 1.40583543 3.22264785 -3.46873215 0.65343271 Ne -0.24440284 1.20178472 1.79874826 -3.01659030 2.58358906 1.00579530