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=74.0854112183 pbc="F T F" Ca -0.09481051 0.04044737 0.10459395 20 -31.19471564 -10.84500723 -23.80998534 Ca 1.22286420 1.26954570 -0.02208018 20 21.14720494 16.76471505 -38.43230576 Ca 1.65488783 0.35379734 1.20245745 20 34.21423160 -13.53029808 30.03745116 Ca -0.10954388 1.33528874 1.48844065 20 -24.16672090 7.61059026 32.20483993