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=42.97529463551136 stress="-5.4963711527385835 -0.11932099209830485 0.9371060317472432 -0.11932099209830485 -5.5765017890049595 -0.35854999316958597 0.9371060317472432 -0.35854999316958597 -8.27314680738295" free_energy=42.97529463551136 pbc="F F T" U 0.04376171 0.19273990 2.80722932 -56.67856445 -62.61978944 22.35409605 U 1.26172667 1.55332204 2.88436473 61.43889181 55.77735716 16.78890365 U 1.73110688 0.01283276 1.70071341 46.76059645 -41.30379057 -26.32804558 U 0.14720807 1.58942344 1.45706424 -51.52092381 48.14622286 -12.81495412