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=52.1905051078 stress="-16.20963319727095 -0.548682928370892 -0.12078164820326634 -0.548682928370892 -16.42632615512537 -1.2116858891980267 -0.12078164820326634 -1.2116858891980267 -16.64028253864677" pbc="F F F" C 0.26959405 0.17626233 -0.14597521 -19.86129221 -27.39899870 -34.51217485 C 1.70996341 1.49207130 0.15300231 26.99629204 27.09348934 -15.70297465 C 1.53848316 -0.04225341 1.41852158 17.17162046 -23.16806079 24.53433884 C -0.04210664 1.38825682 1.27041603 -24.30662028 23.47357015 25.68081067