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:forces:R:3 energy=37.96815494709629 stress="-47.93630897864441 1.7004510673746163 -0.15186009422554747 1.7004510673746163 -49.21476061736905 -1.8478155908582679 -0.15186009422554747 -1.8478155908582679 -53.33681478031855" pbc="F F F"
Ca      -0.12320595      -0.04105180       0.20259391     -19.04666030     -15.07607845     -12.95229226 
Ca       1.56504129       1.20865944      -0.13449789      15.75991343      10.76569367     -18.99618543 
Ca       1.28802619       0.22277084       1.68584377      18.40024263     -19.19432555      20.29995979 
Ca       0.18362810       1.69581920       1.64685009     -15.11349576      23.50471032      11.64851790