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=-2.5022629315676124 stress="0.2665782292314429 -0.050874299411049734 0.060111312875594715 -0.050874299411049734 0.23205373614070698 0.1079057821663656 0.060111312875594715 0.1079057821663656 0.23717233931881965" free_energy=-2.5022629315676124 pbc="T T F" N 0.32856752 0.20947124 0.05280714 0.97576280 1.22269882 1.81099904 N 1.41333883 1.34655491 0.15488783 0.20221494 0.55781100 2.52512338 N 1.55988540 2.70245745 1.66431082 0.75816237 -2.54913364 -1.85571385 N 2.81425730 1.48844065 1.53277713 -1.93614010 0.76862382 -2.48040858