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=33.09123231621952 stress="-0.944266895501022 -0.04339179659232575 0.06195735490513493 -0.04339179659232575 -1.910179714242169 0.004264453628158744 0.06195735490513493 0.004264453628158744 -1.8930004933540867" free_energy=33.09123231621952 pbc="F T T" Na 0.22094491 0.30205975 0.23042800 -8.49625860 -1.30307750 -1.24584887 Na 1.32183498 1.71219253 -0.02041126 8.20884244 -1.30204508 0.55214697 Na 1.62990665 -0.21779550 1.78278197 10.52669835 1.92549092 -1.38442497 Na 0.06210000 1.54923927 1.32702941 -10.23928219 0.67963167 2.07812688