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=79.37438827818633 stress="-8.619838993433905 -0.3941396753820486 -0.9604823458188726 -0.3941396753820486 -8.720334456635374 0.3831021759293438 -0.9604823458188726 0.3831021759293438 -5.563297845387971" free_energy=79.37438827818633 pbc="T T F" Cd 0.35559622 0.06504129 0.22277084 -12.57779642 6.88724828 -47.59949173 Cd 1.68584377 1.64137469 0.19581920 -9.73449734 -1.00585627 -61.99502718 Cd 1.64685009 0.26959405 1.67626233 -14.38908263 -15.77501010 51.19582955 Cd 2.85402479 1.62848498 1.49207130 36.70137640 9.89361810 58.39868937