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=1635.7836030160752 pbc="T F T" Ca 0.03435383 0.14966700 -0.02531709 20 1894.68015339 -572.02291367 1903.51841117 Ca 1.73771924 1.78695047 -0.01632671 20 -2994.76045687 1249.47001323 1641.32378578 Ca 1.73290946 -0.15834709 1.74594334 20 -2009.00463335 -1384.79837157 -1604.82158595 Ca -0.27242767 1.51208408 1.55215196 20 3109.08493683 707.35127201 -1940.02061099