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=41.58341732762234 stress="-1.6409034903909938 -0.00999014618212726 0.02402941711599639 -0.00999014618212726 -2.7562680566553097 0.050881596977510525 0.02402941711599639 0.050881596977510525 -2.704684552733438" pbc="F T T" Pb 0.15720406 -0.02223423 -0.11492400 -15.07511370 -3.94843706 1.56447478 Pb 1.79768454 1.43242381 0.15660339 14.99487196 3.62055394 -3.29792947 Pb 1.67089611 0.12721583 1.19263172 13.98407151 -4.04971087 3.25096496 Pb 0.26235339 1.20525295 1.71005355 -13.90382977 4.37759399 -1.51751028