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=1.8536111289087256 stress="-5.460621996220864 -0.38437200783747955 -0.044663588364936224 -0.38437200783747955 -5.979667325049996 -0.706420288670889 -0.044663588364936224 -0.706420288670889 -6.130658181112779" pbc="F F F" Ne 0.26959405 0.17626233 -0.14597521 -1.66130161 -2.54311750 -3.11161987 Ne 1.70996341 1.49207130 0.15300231 2.23830731 2.34546863 -1.27054948 Ne 1.53848316 -0.04225341 1.41852158 1.30127353 -1.85523268 2.05027853 Ne -0.04210664 1.38825682 1.27041603 -1.87827922 2.05288155 2.33189082