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=547.3905385558028 stress="-31.737387177744292 -2.5221906934246725 0.026758712204641398 -2.5221906934246725 -29.87844366263358 0.1619751469541139 0.026758712204641398 0.1619751469541139 -36.990193471991226" free_energy=547.3905385558028 pbc="T T T" K 2.78013645 0.27652831 2.73012412 30.28713229 12.37941059 35.01888074 K 1.29215497 1.94394580 0.16186092 -8.31162409 -53.99147998 1.14827155 K 1.60385572 2.58261592 1.72006661 -22.46215262 53.61168551 -47.47106589 K 0.00905275 1.32377323 1.25787668 0.48664443 -11.99961613 11.30391360