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=9.438996207373924 stress="-1.5964703482402682 0.3463819607014341 -0.4354335282558051 0.3463819607014341 -1.497912129830209 -0.20659351514185167 -0.4354335282558051 -0.20659351514185167 -1.415308014802733" free_energy=9.438996207373924 pbc="T T F" Ne 0.18584377 0.18362810 0.19581920 -13.77466390 -4.11390517 -20.88723368 Ne 1.56537167 1.72748741 0.17626233 4.94166509 -0.50765179 -8.76435864 Ne 1.35402479 0.20996341 1.49207130 20.58999901 -7.69045001 18.17223413 Ne 0.15300231 1.53848316 1.45774659 -11.75700020 12.31200697 11.47935818