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=953.7655809322589 stress="-75.8295775924321 0.6497935408456825 -5.541196941247558 0.6497935408456825 -149.8510379604011 -27.982783618368035 -5.541196941247558 -27.982783618368035 -212.11634836547674" pbc="F T F" Ca 0.00277172 0.09363443 0.25938773 -629.78511578 -2024.00608877 -2212.01589338 Ca 1.64966315 1.25249557 0.12535358 492.19854142 1312.71271177 -1737.15716579 Ca 1.79407500 0.24533629 1.67261013 694.89971177 -1232.20397870 1662.36368388 Ca 0.01708163 1.25062821 1.63467221 -557.31313741 1943.49735570 2286.80937529