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=-9.501046932000103 stress="0.14696610469198954 0.10656440676999972 0.1565500529880199 0.10656440676999972 0.23559937091284608 0.26206471819499305 0.1565500529880199 0.26206471819499305 0.10947446943707968" free_energy=-9.501046932000103 pbc="F T F" C 0.07034430 0.04852473 0.05473499 2.47917735 3.83878171 0.95533974 C 1.41561068 1.63661615 0.11041876 1.39283087 1.92295438 2.34139969 C 1.26735611 2.83533445 1.24148635 -4.89379397 -4.54882344 -6.20082502 C 0.08611608 1.53369179 1.52598936 1.02178574 -1.21291265 2.90408559