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=-10.186950826064669 stress="0.8656480081112756 -0.09905353541621703 0.011494838696564775 -0.09905353541621703 0.6902311688824061 -0.01733985884720465 0.011494838696564775 -0.01733985884720465 1.0392450709654768" free_energy=-10.186950826064669 pbc="T F T" C 0.20996341 0.15300231 0.03848316 7.30395973 6.62015570 -2.91865937 C 1.45774659 1.41852158 2.95789336 -6.03469462 -7.73575609 -4.24795613 C 1.38825682 0.19178619 1.67895518 -8.55133736 7.36381943 3.25445289 C 0.29140871 1.61455359 1.68158271 7.28207226 -6.24821903 3.91216260