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=-10.724610940300444 stress="0.6830038354654991 -0.2440861486313518 -0.06603559656345422 -0.2440861486313518 0.6659182695043036 0.3332276716261558 -0.06603559656345422 0.3332276716261558 0.6451172563746055" free_energy=-10.724610940300444 pbc="T F T" C -0.00792870 0.15300231 0.03848316 1.91157719 6.01085956 -2.12182353 C 1.45774659 1.41852158 -0.04210664 -5.53842994 -7.63269609 -1.86117137 C 1.38825682 0.19178619 1.67895518 -5.83263656 7.51413643 8.75979522 C 0.29140871 1.61455359 1.31344807 9.45948931 -5.89229991 -4.77680031