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=-12.86966906487394 stress="0.8212588381692237 -0.11244344609945812 0.17997761167248325 -0.11244344609945812 0.7634258422069317 0.2548258343901181 0.17997761167248325 0.2548258343901181 1.047153034245437" free_energy=-12.86966906487394 pbc="F F T" B 0.05835534 0.20070203 2.70342959 8.37031779 7.39519717 2.60246304 B 1.40085166 1.49793547 0.28187239 -6.82291855 -4.96230520 -6.51104715 B 1.51001192 0.10170120 1.37793365 -8.68234233 6.33314102 2.72101603 B 0.00082602 1.74624097 1.49801295 7.13494309 -8.76603299 1.18756808