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=41159.47646934129 stress="-176186.72090269538 18119.933531953044 9124.043953684712 18119.933531953044 -157224.23653477273 37998.597308462275 9124.043953684712 37998.597308462275 -169605.97504007033" pbc="F F F" La -0.10686373 -0.02044368 -0.18189453 -45968.07145328 -15510.94687593 -51526.95023868 La 1.71760980 1.60257737 0.04837157 62954.95854408 46995.01780698 -72973.38073233 La 1.30894869 0.03924685 1.32509142 52047.57644570 -79421.24344895 82247.80920260 La 0.07221406 1.76712586 1.29643091 -69034.46353649 47937.17251790 42252.52176841