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=813.6559096490964 pbc="F F T" Ca -0.27796208 -0.17735011 -0.21942456 20 -815.72656039 -1168.66292366 1112.23735033 Ca 1.47925830 1.38077152 -0.00901608 20 560.48270746 952.45693906 682.77846205 Ca 1.33062486 0.00772681 1.62655729 20 1314.46778190 -1553.62761538 -888.85521899 Ca -0.08042642 1.32605341 1.62499654 20 -1059.22392896 1769.83359998 -906.16059339