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=-14.62712147038394 stress="-0.03789174469171562 -0.06301925979778127 0.06994331703381873 -0.06301925979778127 -0.27576005102657036 0.1033227560230523 0.06994331703381873 0.1033227560230523 -0.21895438388155827" free_energy=-14.62712147038394 pbc="F T T" C 0.29128921 0.23171545 0.18190327 -0.44183537 1.62988323 2.42721864 C 1.32183498 1.71219253 2.92485375 0.70407872 -3.39963608 1.90950203 C 1.62990665 2.78220450 1.78278197 0.15141439 3.57863577 -3.09363945 C 0.06210000 1.68215332 1.38176440 -0.41365774 -1.80888291 -1.24308122