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=6.3472441318981 stress="-0.7341152658034044 0.023331911687439685 -0.016208188601020537 0.023331911687439685 -0.6050278773740012 0.1524684064443434 -0.016208188601020537 0.1524684064443434 -0.5765167053483962" pbc="T F F" Ne 0.08343331 0.22094491 0.23171545 -4.10966269 -4.32860470 -5.56764813 Ne 1.50893269 1.32183498 0.21219253 2.80133175 9.37178114 -7.78208677 Ne 1.42485375 0.12990665 1.28220450 3.81833543 -8.92486599 9.39362684 Ne 0.28278197 1.56210000 1.63362859 -2.51000449 3.88168956 3.95610805