16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=116.127611886 pbc="F F F" Ca -0.08129564 0.04860922 0.20118821 20 -7.14956333 -3.83134304 -5.87759501 Ca 1.98180132 1.24524776 1.46966436 20 -14.34136295 7.21716629 -0.95368222 Ca 2.78829595 0.09488445 0.32407133 20 8.26773771 -18.96010996 -20.96102767 Ca 4.27812781 1.72167608 1.41177783 20 22.51937317 -1.04269495 -3.57737709 Ca 0.09773896 3.19066365 0.38449718 20 -14.93097169 -2.72505651 -11.31379135 Ca 1.38687626 4.20865944 1.57769464 20 -2.29588415 21.62222120 2.37687579 Ca 2.78802619 3.14762458 0.31575042 20 5.90751022 5.78214557 -20.25948454 Ca 4.68362810 4.69581920 1.42905459 20 6.03759986 6.36607709 -1.32332430 Ca 0.55237602 0.23836233 2.85402479 20 -15.51814576 -9.82491642 5.49125565 Ca 1.84359200 1.31910071 4.65300231 20 -3.92930167 -2.25191040 16.91749183 Ca 3.03848316 0.02809089 2.91852158 20 8.55783851 -19.85346750 7.02342286 Ca 4.45789336 1.43678155 4.27041603 20 12.25609824 -1.67604276 8.59021560 Ca 0.24652118 3.09456587 3.42802486 20 -16.81613632 -2.02540615 2.97526392 Ca 1.51935392 4.53253581 4.64904689 20 -0.90770553 10.28374544 9.82517440 Ca 2.78091226 2.98328798 2.96603997 20 5.82323308 5.48162567 5.80630305 Ca 4.30598025 4.32157598 4.51361598 20 6.51968062 5.43796644 5.26027909