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=-13.133848607506197 stress="0.8696061235824217 -0.15002330652843202 -0.14195779387635596 -0.15002330652843202 0.7737969872574605 0.13919977955640805 -0.14195779387635596 0.13919977955640805 1.3663565375375823" free_energy=-13.133848607506197 pbc="F F T" C 0.20070203 0.28187239 0.01001192 12.21690923 5.72105620 -8.57518232 C 1.48453339 1.60170120 2.87793365 -6.86028982 -5.20454400 -3.88347288 C 1.21904386 0.00082602 1.74624097 -13.92248641 9.94646629 8.86338261 C 0.14302402 1.35498893 1.61042859 8.56586699 -10.46297850 3.59527259