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=44.59387135442862 stress="-59.276973963404856 -0.09917180360304512 -0.5885342372245148 -0.09917180360304512 -54.76610087194722 -0.5618403575921072 -0.5885342372245148 -0.5618403575921072 -54.706049954682115" pbc="F F F"
Ca       0.26959405       0.17626233      -0.14597521     -16.64574366     -19.60209695     -25.79357867 
Ca       1.70996341       1.49207130       0.15300231      22.65076829      21.67953004     -13.54862349 
Ca       1.53848316      -0.04225341       1.41852158      15.67752185     -20.10318954      20.47751281 
Ca      -0.04210664       1.38825682       1.27041603     -21.68254649      18.02575646      18.86468935