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=6.253007281706643 stress="0.17215471951776307 -0.062189624390478614 -0.05700504872075219 -0.062189624390478614 1.03191736410971 -0.4794182330017989 -0.05700504872075219 -0.4794182330017989 0.4658646232104307" free_energy=6.253007281706643 pbc="T F T" F 0.23573857 0.02724172 2.73970147 6.83224089 11.88494754 -7.58707178 F 1.20296332 1.34887301 0.22083292 -6.12050095 -11.56786217 4.26038960 F 1.28984966 0.18107110 1.32825321 -9.02553972 10.22454600 -2.39831539 F 0.13102478 1.36917430 1.76120756 8.31379978 -10.54163138 5.72499757