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=489.8815255911033 stress="-31.082580342379075 -1.5586130541480039 -0.6411059351706196 -1.5586130541480039 -33.23445139116391 0.4222058319745512 -0.6411059351706196 0.4222058319745512 -14.18264965997719" free_energy=489.8815255911033 pbc="T T F" K 2.67684771 2.91380054 0.23598149 39.22739149 105.01103857 -163.10671101 K 1.69843311 1.70500540 0.07855587 -45.99343867 -77.32588732 -178.00024131 K 1.20693653 0.14283106 1.31428451 43.88620803 56.37121168 168.36079890 K 0.26838441 1.78218414 1.23956860 -37.12016086 -84.05636293 172.74615342