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=-5.7199266878564305 stress="-0.0017471158834695315 0.1989386090318754 -0.09481782727332752 0.1989386090318754 -0.15062411496517217 0.050846507092168175 -0.09481782727332752 0.050846507092168175 -0.5239326362582929" free_energy=-5.7199266878564305 pbc="T T F" C 2.70865944 2.86550211 0.22277084 -0.63858451 1.02043885 -5.51289148 C 1.83884608 1.68362810 0.19581920 -1.19735213 0.62215673 -5.14627342 C 1.64685009 0.26959405 1.67626233 1.07201588 3.95708547 2.59403977 C 2.81177137 1.70996341 1.49207130 0.76392076 -5.59968104 8.06512514