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=129.45671116806744 pbc="F F F"
Ca      -0.24781013       0.16267070       0.23750843       20     -17.85080047     -10.95399222     -12.72842180 
Ca       1.64026153       1.33192698       1.55269463       20     -27.95148003     -78.45490698     -57.85810641 
Ca       2.71929673      -0.17328860      -0.14731227       20      13.66472638     -22.67574833     -22.45587209 
Ca       4.55876836       1.54942752       1.52487199       20      99.31800185     -75.48365522      35.72808565 
Ca      -0.20355569       3.19441334       0.14851045       20     -15.66643557      -2.04374694     -24.20026155 
Ca       1.72380637       4.42147929       1.46938744       20     -12.69348102      61.69041194     -26.03401209 
Ca       3.22248504       2.72714430       0.06225696       20     -40.65197713      52.18713234     -94.77030762 
Ca       4.26133853       4.68272242       1.71375777       20      34.38417777      20.94364475      -2.94650024 
Ca       0.00545309      -0.15617493       3.20653755       20     -20.06756293     -20.92586387      -4.81522795 
Ca       1.38408001       1.54880032       4.54821846       20       1.77573303      -3.96795789      57.69857797 
Ca       2.93261232      -0.24033833       3.32664973       20       9.30015367     -26.76551894      -3.04262634 
Ca       4.40086456       1.57383022       4.68070570       20      18.47310516      -1.94004284      19.44863343 
Ca       0.26295651       2.87173282       2.72740383       20     -87.11175563      34.88034121      43.87057134 
Ca       1.81306252       4.58040345       4.73653691       20     -14.47100661       5.14768478       5.10900246 
Ca       2.92387406       2.73247686       2.87107909       20      44.83343397      65.59841675      83.47987386 
Ca       4.47547557       4.64303692       4.64476738       20      14.71516758       2.76380147       3.51659140