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=12.899993564715352 stress="-129.10153058017107 1.9100092609966683 35.521369951832725 1.9100092609966683 -156.5041812411431 -82.47821256867299 35.521369951832725 -82.47821256867299 -159.95779499695414" pbc="F F F" Cd 0.01283276 0.20071341 -0.17141964 -23.88211958 -83.77015812 -78.53669638 Cd 1.64720807 1.58942344 -0.04293576 57.77542027 24.71261016 -27.51343673 Ca 1.50774945 -0.28637262 1.71736445 15.67537450 -16.78939251 19.45545452 Ca -0.21395222 1.70384132 1.29224623 -49.56867518 75.84694048 86.59467859