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=67.4360127977 pbc="T F F" Ca 0.34880868 -0.17034592 0.24032542 20 -10.22280457 -27.33047459 -29.33022454 Ca 1.28220450 1.78278197 0.14821608 20 9.45023654 24.00494606 -29.25261851 Ca 1.35692509 0.12577768 1.57034430 20 13.16615147 -21.57444911 31.88826290 Ca 0.10688008 1.55473499 1.41561068 20 -12.39358343 24.89997764 26.69458016