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=9.437784094601561 stress="-1.5964285361419703 0.3463816417736258 -0.43543354661858896 0.3463816417736258 -1.4978710118598775 -0.20659358710603787 -0.43543354661858896 -0.20659358710603787 -1.4153075412022242" pbc="T T F" Ne 0.18584377 0.18362810 0.19581920 -13.77466594 -4.11390777 -20.88722902 Ne 1.56537167 1.72748741 0.17626233 4.94166679 -0.50765076 -8.76435339 Ne 1.35402479 0.20996341 1.49207130 20.59000191 -7.69045050 18.17222885 Ne 0.15300231 1.53848316 1.45774659 -11.75700277 12.31200902 11.47935356