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=200.32946467297492 stress="-27.18450302759833 -0.9003030831346732 -1.6539045965285042 -0.9003030831346732 -35.720872287103035 4.504429048914154 -1.6539045965285042 4.504429048914154 -46.07115946179024" free_energy=200.32946467297492 pbc="F F T" U 0.27559981 0.21736445 2.78604778 -252.98200084 -485.80803797 397.56421910 U 1.70384132 1.29224623 2.73214964 282.79297636 430.06210060 249.66889283 U 1.50041025 0.25551247 1.35444624 225.55405091 -402.74544379 -312.31292342 U 0.06482696 1.34620060 1.51821382 -255.36502643 458.49138115 -334.92018851