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=6.428989745587136 stress="-1.6128928310302613 0.08401153011524193 0.2197352314733868 0.08401153011524193 -1.577791529845859 0.2300848703259884 0.2197352314733868 0.2300848703259884 -1.4641806385267981" free_energy=6.428989745587136 pbc="T T T" N 2.90395547 2.83226600 2.73049600 -4.34153647 -1.76593718 -4.84365543 N 1.62036030 1.45631248 0.24843919 -0.29841781 -2.55327697 2.55915026 N 1.64432661 2.76023492 1.74849743 3.65329607 2.39733301 0.90061778 N 0.36793204 1.69019325 1.69877714 0.98665821 1.92188113 1.38388739