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=65.710337254 pbc="T F F" Ca 0.34880868 -0.17034592 0.24032542 20 -256.67393660 -912.44009565 -729.43668006 Ca 1.28220450 1.78278197 0.14821608 20 206.39811918 792.93094960 -827.26690598 Ca 1.35692509 0.12577768 1.57034430 20 237.20875293 -791.38080447 787.08704252 Ca 0.10688008 1.55473499 1.41561068 20 -186.93293551 910.88995051 769.61654351