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=158.68302970695947 stress="-11.90777235290526 -1.6556801534865233 -0.4176621852343066 -1.6556801534865233 -12.551139919835514 1.6728575421455798 -0.4176621852343066 1.6728575421455798 -8.707999687245577" free_energy=158.68302970695947 pbc="T T F" Pb -0.13449789 -0.21197381 0.22277084 53.05774505 68.09539828 -85.99955025 Pb 1.68584377 1.68362810 0.19581920 -66.24272030 -35.27291607 -86.84840717 Pb 1.64685009 0.42259636 1.67626233 -39.32963213 -24.19349365 72.63813665 Pb -0.14597521 1.70996341 1.49207130 52.51460737 -8.62898856 100.20982078