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=-8.953393650812144 stress="-5.359596853796324 0.19727394449049535 0.056006255897760315 0.19727394449049535 -3.8454179388891916 0.8950133844986834 0.056006255897760315 0.8950133844986834 -4.056816025352671" pbc="F F F" C -0.14459490 0.11115480 0.11044915 -1.76645635 -1.05900887 -1.24724470 C 1.70960170 1.31143450 -0.16166483 1.76964709 1.14386489 -1.33894718 C 1.28829595 -0.16490224 1.64041416 1.37605649 -1.53941917 1.73922285 C -0.22187219 1.51878885 1.32834452 -1.37924723 1.45456315 0.84696903