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=13.851127453058858 stress="-59.737839137591514 4.521847779904387 -35.76956289701288 4.521847779904387 -37.14702842973631 -9.157215146899606 -35.76956289701288 -9.157215146899606 -74.89576058455872" pbc="F F F" Ne 0.19178619 0.17895518 0.29140871 -39.31058039 -19.14355735 -57.20085483 Ne 1.46654064 1.50821123 0.21234616 7.90248375 11.33905029 -5.49015975 Ne 1.28091226 0.10609294 1.46603997 41.88772267 -10.82444983 45.39513265 Ne -0.19401975 1.32157598 1.51361598 -10.47962603 18.62895689 17.29588192