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=159.2018829090222 stress="-11.92761416457764 -1.6558880599275256 -0.4176406397745843 -1.6558880599275256 -12.570938254336212 1.6726212329653256 -0.4176406397745843 1.6726212329653256 -8.708414729068942" free_energy=159.2018829090222 pbc="T T F" Pb -0.13449789 -0.21197381 0.22277084 53.05810033 68.09696806 -86.00403447 Pb 1.68584377 1.68362810 0.19581920 -66.24260474 -35.27924696 -86.85193087 Pb 1.64685009 0.42259636 1.67626233 -39.32952891 -24.19259007 72.64327648 Pb -0.14597521 1.70996341 1.49207130 52.51403332 -8.62513102 100.21268886