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=79.0069066739174 stress="-5.678327126722264 -3.0365068627310587 -2.9395493841355096 -3.0365068627310587 -27.49346167904287 -18.603940842674287 -2.9395493841355096 -18.603940842674287 -17.492502075089348" free_energy=79.0069066739174 pbc="T F T" U 0.15773573 0.09364432 0.27354104 -87.17816434 -526.91400276 -379.16413960 N 1.29954065 1.48596474 2.61912237 24.12627476 23.80005614 15.37176278 N 1.54989618 0.45642873 1.18982226 37.25387505 -29.28901985 11.06458888 U 0.34549823 1.44564997 1.24841186 25.79801454 532.40296647 352.72778794