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=355.11932695936974 stress="-24.628083477786596 0.011127032996607637 -0.3769861752316805 0.011127032996607637 -15.18590354372968 -1.3236577467503245 -0.3769861752316805 -1.3236577467503245 -24.087635236407497" free_energy=355.11932695936974 pbc="T F T" K 2.76266754 0.22491354 2.96546017 41.59638737 -126.07436584 39.73418127 K 1.37675125 1.53607761 2.73867883 -29.97326755 146.28456276 40.23833150 K 1.45426446 0.08968929 1.71863911 -34.35401583 -151.07931750 -63.06783383 K 2.77352891 1.73624620 1.35647464 22.73089602 130.86912058 -16.90467894