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=132.260674952 pbc="T T F" Ca 0.08407602 0.33863628 0.44854923 20 -8.42448438 -26.75114868 -48.66008427 Ca 1.45717459 1.35402479 0.31605635 20 7.58779113 20.35410973 -49.35725607 Ca 1.45811127 0.16661829 1.53848316 20 6.43396035 -18.01128849 48.23829612 Ca 0.02104585 1.41852158 1.45789336 20 -5.59726711 24.40832745 49.77904422