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=13.532442100413745 stress="0.269090126657732 -0.16632420266209108 -0.13540725916877697 -0.16632420266209108 0.14834165463922508 -0.015999407180210617 -0.13540725916877697 -0.015999407180210617 -0.6321539751915738" free_energy=13.532442100413745 pbc="T T F" N 2.96963223 0.15586213 0.12036030 -1.04768975 -5.42153201 -6.75221054 N 1.45631248 1.74843919 0.14432661 -2.16226670 5.99733974 -3.91663520 N 1.26023492 0.38099999 1.75911890 -7.11916035 7.61988451 8.52896515 N 0.19019325 1.55309584 1.60881314 10.32911681 -8.19569224 2.13988059