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=20.5134945913 pbc="F F F" Ca 0.21686778 0.24227223 -0.01534395 20 -7.55144052 -5.48290283 -9.30316573 Cd 1.62031783 1.28604778 1.80722985 48 20.99041128 -6.68208044 -14.59771819 Ca 3.03983790 -0.15766733 -0.07440778 20 0.56536790 -3.53420607 -3.27516838 Cd 4.50214770 1.34147113 1.44046767 48 7.08957070 6.68211232 -4.47338937 Cd 0.25325792 3.01681360 0.30991190 48 -9.71132766 -15.73180372 -29.87132271 Cd 1.20575425 4.46963223 1.62449215 48 23.99043147 46.60749113 -6.10719091 Cd 2.85026184 2.87077686 -0.11967409 48 -0.25669581 0.61026805 -0.99446343 Cd 4.62036030 4.45631248 1.49639306 48 1.07751893 1.19757880 -2.21665897 Ca -0.02637883 0.04119188 3.07314330 20 -12.68477435 -11.13416832 10.77335931 Cd 2.01920836 1.56695299 4.52108180 48 -18.04194803 -17.23180402 17.47761659 Cd 3.39342026 -0.11403227 2.86803601 48 -16.12434626 -21.08106013 -8.35469357 Ca 4.55442580 1.35431870 4.28011711 20 23.24644661 11.69086350 16.48013172 Ca 0.06771021 2.88534648 2.73387496 20 -33.58284237 -12.95930125 37.92174815 Ca 1.38048209 4.27544009 4.62587298 20 -6.62361212 8.09599963 9.99508392 Ca 2.89458691 3.06465598 2.92866320 20 19.44653537 12.74261973 -20.32595704 Ca 4.72809976 4.29257699 4.27555951 20 8.17070486 6.21039363 6.87178861