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=11.591815266719234 stress="0.5640852448225501 -0.07030664471321063 0.5566260489307108 -0.07030664471321063 1.426434958289452 0.22581925424704566 0.5566260489307108 0.22581925424704566 1.4135826840073962" free_energy=11.591815266719234 pbc="F T T" N 0.25980354 -0.06469756 0.30994978 7.48590149 -0.75731100 2.86151211 N 1.40295338 1.60338854 0.24759167 -2.17805701 7.43180579 -4.26147938 N 1.61018303 -0.07481803 1.24663523 -9.22755271 -4.97538500 -7.07400136 N 0.18843096 1.67061300 1.79169807 3.91970823 -1.69910980 8.47396863