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=-2.408111101924731 stress="-0.34849313910933627 -0.08240844294634722 0.016212140199623647 -0.08240844294634722 -0.19460741858687916 -0.04474402836815805 0.016212140199623647 -0.04474402836815805 -0.42247467684918444" free_energy=-2.408111101924731 pbc="F T F" C 0.08611608 0.23439382 0.30786174 -3.96375137 -7.51871742 -8.87663093 C 1.23330842 1.46375436 0.29874826 3.88775393 6.91747961 -0.90574089 C 1.27290972 2.88090187 1.36136659 4.07674109 -4.68810683 0.71869738 C 0.05835534 1.23098976 1.48193431 -4.00074364 5.28934465 9.06367444