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=119.384548569 pbc="T T F" Ca 0.19581920 0.33863628 0.44854923 20 224.20931133 -162.88356314 -966.23794842 Ca 1.45717459 1.35402479 0.31605635 20 -55.48521366 284.02301943 -1258.58455024 Ca 1.45811127 0.16661829 1.53848316 20 -101.17102337 -335.29375745 1205.44403614 Ca 0.02104585 1.41852158 1.45789336 20 -67.55307430 214.15430116 1019.37846252