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=101.921218564 pbc="T F T" Ca 0.19724111 -0.03787426 -0.00548572 20 -14.83042446 -38.45908867 -2.46627685 Ca 1.34126820 1.34140700 -0.18331863 20 16.62739120 37.65908692 4.64399313 Ca 1.41986395 -0.05314731 1.38659309 20 13.39302062 -37.96525830 1.82568265 Ca 0.22029417 1.43381326 1.45316417 20 -15.18998736 38.76526005 -4.00339894