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=8693.524910906504 stress="-1441.07179047786 471.1269254011678 -435.32674191459404 471.1269254011678 -1212.8613399252222 -221.29295258497893 -435.32674191459404 -221.29295258497893 -1236.16965025993" free_energy=8693.524910906504 pbc="T T T" Xe -0.14459490 0.11115480 -0.01275680 14441.19665844 -15741.28403648 -978.55596215 Xe 1.70960170 1.31143450 0.04092907 -24729.11577370 14800.66196050 -9547.98902778 Xe 1.35333724 0.05786860 1.64041416 -1504.40277257 -2943.11357387 -2654.05463631 Xe -0.22187219 1.51878885 1.32834452 11792.32188783 3883.73564985 13180.59962625