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=9.731260724598114 stress="-0.3129710425238412 -0.23902991049622624 0.0023464182168184762 -0.23902991049622624 -0.6868696573327522 0.2798411645463299 0.0023464182168184762 0.2798411645463299 -0.3906392012315776" free_energy=9.731260724598114 pbc="F T F" N 0.01129231 0.22715024 0.16911338 -3.18222684 4.74171146 -3.25236402 N 1.30454100 1.62365747 0.04737131 2.43546810 -0.22302158 -4.31181836 N 1.53238783 0.24404962 1.36810690 3.71513278 5.18585890 3.29269526 N 0.12937675 1.25818085 1.59119645 -2.96837405 -9.70454878 4.27148712