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=1.1763133945379518 stress="0.3220325261859562 -0.32922236246629943 0.07636049018975416 -0.32922236246629943 0.3752442986917668 0.2797671119079647 0.07636049018975416 0.2797671119079647 0.7219140013325874" pbc="T T T" C -0.14459490 0.11115480 -0.01275680 -7.27033120 15.00851559 1.69867958 C 1.70960170 1.31143450 -0.16166483 15.97627016 -11.31993491 -2.28817248 C 1.24724415 0.03769167 1.64041416 -1.02757025 5.62427922 5.32958651 C -0.22187219 1.22744829 1.32834452 -7.67836870 -9.31285990 -4.74009360