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:Z:I:1:forces:R:3 energy=131.670911535 pbc="T T F" Ca 0.08407602 0.33863628 0.44854923 20 -8.42394820 -26.75087541 -48.65815343 Ca 1.45717459 1.35402479 0.31605635 20 7.58814063 20.35509979 -49.35489571 Ca 1.45811127 0.16661829 1.53848316 20 6.43296041 -18.01192494 48.23598757 Ca 0.02104585 1.41852158 1.45789336 20 -5.59715284 24.40770056 49.77706157