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=115.98962540663257 stress="-7.2646398602849525 0.08331824503899794 -0.19310019654379673 0.08331824503899794 -7.562199976097531 -0.11482657031839508 -0.19310019654379673 -0.11482657031839508 -7.681464255557278" free_energy=115.98962540663257 pbc="T T T"
Ca      -0.14459490       0.11115480       0.11044915      10.80003673     -12.68340711      -2.26531831
Ca       1.70960170       1.31143450      -0.16166483     -16.41949343      13.85049602       3.04427330
Ca       1.28829595       0.03769167       1.64041416      -4.94264563      -8.77193501      -5.15348380
Ca      -0.22187219       1.51878885       1.32834452      10.56210233       7.60484610       4.37452881