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=3.382673387138677 stress="-0.1852492582722982 0.018191666557257288 0.22198562139297753 0.018191666557257288 -0.14903390637924316 -0.05172400477816781 0.22198562139297753 -0.05172400477816781 -0.7512835704225412" free_energy=3.382673387138677 pbc="F F T" N 0.12263099 0.04530481 2.95206007 -1.07706487 -3.34399520 2.38527744 N 1.62593290 1.34000708 2.85184814 2.62679931 -1.68457198 -1.16492514 N 1.41812645 0.23212867 1.25294705 0.91960805 1.41940269 -3.36767536 N 0.17871475 1.69104769 1.46850990 -2.46934249 3.60916449 2.14732305