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=134.7790719155555 stress="-11.367361156929345 -2.020475530506196 -0.8096229271004284 -2.020475530506196 -14.76784860928644 1.1322622364192918 -0.8096229271004284 1.1322622364192918 -10.379294141564001" free_energy=134.7790719155555 pbc="F T F" W 0.04852473 0.01848935 0.13661615 -145.05547754 -12.58972124 -122.69419149 W 1.40480033 1.28303047 0.11041876 97.51500681 31.91158822 -103.76207132 W 1.26735611 -0.16466555 1.24148635 146.34994808 10.15734791 130.43664696 W 0.08611608 1.53369179 1.52598936 -98.80947735 -29.47921489 96.01961584