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=67.424760463 pbc="T F F" Ca 0.34880868 -0.17034592 0.24032542 20 -10.22297013 -27.33044090 -29.33020320 Ca 1.28220450 1.78278197 0.14821608 20 9.45029429 24.00491601 -29.25260621 Ca 1.35692509 0.12577768 1.57034430 20 13.16625083 -21.57443793 31.88823893 Ca 0.10688008 1.55473499 1.41561068 20 -12.39357499 24.89996282 26.69457047