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=746485.6934716973 stress="-3397792.271537118 1622625.1817118037 -75467.05977681093 1622625.1817118037 -3489713.8543899185 370594.1272562961 -75467.05977681093 370594.1272562961 -2107216.4212110126" pbc="F F F" La 0.24200083 -0.16515753 0.26304176 -614906.00192823 -853676.67175987 -537831.55629442 La 1.30449530 1.19234490 0.11756199 989077.90015180 568677.30469259 -935333.60781718 La 1.27155525 0.12770397 1.68459379 2251742.32812647 -2137283.03392785 1043111.05481375 La 0.23110512 1.21521866 1.39849811 -2625914.22635004 2422282.40099513 430054.10929785