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=107.356277433 pbc="F F F" Ca -0.08129564 0.04860922 0.20118821 20 -8.06533548 -5.18952348 -7.12419845 Ca 1.98180132 1.31143450 1.33833517 20 -744.21902224 290.66872443 136.00079731 Ca 2.78829595 -0.03357304 0.40020085 20 -168.94741679 -691.51835443 -533.89547520 Ca 4.27812781 1.24471398 1.11339186 20 731.78778812 281.93704652 142.80786430 Ca 0.06045122 3.16183542 0.28602722 20 -350.40830777 -285.10853679 -279.42155051 Ca 1.36089532 4.20865944 1.36550211 20 -69.63281704 735.06118461 219.27156149 Ca 2.78802619 3.17086538 0.40678868 20 449.82076623 69.50764326 -512.90437936 Ca 4.50546308 4.62067295 1.77675675 20 60.50382510 50.51871997 -51.72787217 Ca 0.05179855 0.45904430 2.85402479 20 -19.27528285 -8.23778217 17.20272696 Ca 1.77206341 1.62569989 4.65300231 20 -19.20613766 -17.60222349 58.05140386 Ca 2.86551257 0.02809089 2.91852158 20 87.61680046 -282.68941364 347.10747937 Ca 4.45789336 1.38825682 4.27041603 20 39.53966314 36.26030201 31.17798557 Ca 0.24031092 3.23369017 3.20701940 20 -307.55831337 -193.04362069 34.19931420 Ca 1.61455359 4.53253581 4.64904689 20 -1.25162372 202.93657148 243.58309938 Ca 2.78091226 3.24270909 2.96603997 20 20.27161123 -346.77217974 -123.83637015 Ca 4.21078058 4.19877102 4.31230604 20 299.02380263 163.27144216 279.50761338