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=485436.20602100174 stress="-45733.6717614017 -24500.58791540457 -17457.603510388166 -24500.58791540457 -63083.51681454826 38163.87779454736 -17457.603510388166 38163.87779454736 -108213.85954365776" pbc="F T F" La 0.26899333 -0.26217030 0.19757326 -746335.18010196 278567.29254449 -1676402.86464561 La 1.67767438 1.22363648 0.00233674 247619.55343133 447268.41586644 -636362.20977779 La 1.34481439 0.22948823 1.33870285 779184.63136651 -73886.29170793 1413617.50962996 La 0.09881792 1.74980188 1.51483456 -280469.00469588 -651949.41670300 899147.56479344