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=74.1868712696 pbc="F T F" Ca -0.09481051 0.04044737 0.10459395 20 -31.19493767 -10.84485532 -23.81013729 Ca 1.22286420 1.26954570 -0.02208018 20 21.14731598 16.76379575 -38.43264445 Ca 1.65488783 0.35379734 1.20245745 20 34.21473515 -13.52843894 30.03770565 Ca -0.10954388 1.33528874 1.48844065 20 -24.16711347 7.60949852 32.20507608