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=3776.746609562549 stress="-632.2838534722575 277.84844062277364 136.05274035075047 277.84844062277364 -551.8803485543667 91.81389065752916 136.05274035075047 91.81389065752916 -504.58258542011833" free_energy=3776.746609562549 pbc="F T T"
Kr       0.23171545       0.18190327      -0.17816502   -4958.33879628   -3930.06763079    6657.68743327
Kr       1.62780321       1.32965408       0.00710170    2034.79038645    2288.08362902     813.33603253
Kr       1.28220450       0.28278197       1.56210000   12639.72161311   -9172.41626429   -4824.86327428
Kr       0.13362859       1.32702941       1.57034430   -9716.17320328   10814.40026606   -2646.16019152