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=47.206029145722226 stress="-2.3641799213725725 0.0014924869061770344 -0.007367859925988738 0.0014924869061770344 -0.8232984835522964 0.08067334003951407 -0.007367859925988738 0.08067334003951407 -0.8064036799523869" free_energy=47.206029145722226 pbc="T F F" Cs 0.21545919 0.09073906 0.27219963 -1.31176755 -8.94299755 -8.70804179 Cs 1.25564823 1.63132919 0.25978669 1.54298067 9.06086657 -7.76464821 Cs 1.22592512 0.18365717 1.70288723 1.92300448 -7.56343002 9.05192722 Cs 0.08343331 1.29585403 1.44809454 -2.15421760 7.44556100 7.42076278