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=-11.316864627352807 stress="0.5917600125370832 -0.40419134182363586 -0.02425809442639011 -0.40419134182363586 0.2638353134153497 0.14831117103118088 -0.02425809442639011 0.14831117103118088 0.4181613153168731" free_energy=-11.316864627352807 pbc="T F T" C 2.99207130 0.15300231 0.03848316 -2.29639681 0.06611291 0.57749010 C 1.60679348 1.41852158 2.95789336 4.41912640 -3.42833202 -0.24163235 C 1.16916908 0.19178619 1.67895518 -5.92026206 5.41127775 2.25457674 C 0.29140871 1.61455359 1.53253581 3.79753247 -2.04905864 -2.59043449