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=25.17453030235489 stress="-3.892605521747379 -0.5713957511106836 -1.0459568038695553 -0.5713957511106836 -2.925508263136634 0.20127105153431576 -1.0459568038695553 0.20127105153431576 -3.9478244159325664" free_energy=25.17453030235489 pbc="T T F" V 0.18492541 2.83178173 0.12263099 -14.81354046 21.12702215 -53.75579053 V 1.54530481 1.45206007 0.12593290 -7.19386657 -13.95173459 -34.19873999 V 1.10068426 2.89901191 1.41812645 20.51868739 16.47960499 44.12034845 V 2.70122014 1.73212867 1.25294705 1.48871964 -23.65489255 43.83418208