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=-1.493996460375612 stress="0.23694024095695532 0.1523886921036583 -0.03287040252168784 0.1523886921036583 0.28813366821227115 0.041288225721914526 -0.03287040252168784 0.041288225721914526 0.20817871539081273" free_energy=-1.493996460375612 pbc="T F F" N 0.02724172 0.22083292 0.18107110 0.43706279 3.10642943 2.51008866 N 1.32825321 1.63102478 0.09995250 -0.73884309 -1.89870986 1.27854257 N 1.76120756 0.01193751 1.75226748 2.26619933 2.28722522 -1.36752575 N 2.73354177 1.54396501 1.57236142 -1.96441903 -3.49494479 -2.42110549