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=8.701041411707976 stress="-0.6502272924017579 0.07387351216414029 0.056971266493583465 0.07387351216414029 -1.0757424314845412 0.027448685818637065 0.056971266493583465 0.027448685818637065 -0.7824536186534343" pbc="F T F" Ne 0.29874826 -0.22709028 0.05835534 -8.66651853 5.86135835 -7.50619698 Ne 1.24645637 1.48193431 0.20070203 10.90693536 -5.89329854 -8.04525064 Ne 1.20342959 -0.09914834 1.49793547 7.79304514 3.89675323 6.88917560 Ne 0.28187239 1.51001192 1.48453339 -10.03346196 -3.86481304 8.66227202