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=79.37439858658516 stress="-8.619842740575585 -0.3941446395451437 -0.960484204041046 -0.3941446395451437 -8.720338720120713 0.3831016409075024 -0.960484204041046 0.3831016409075024 -5.563307785106434" free_energy=79.37439858658516 pbc="T T F" Cd 0.35559622 0.06504129 0.22277084 -12.57779757 6.88719578 -47.59954308 Cd 1.68584377 1.64137469 0.19581920 -9.73453820 -1.00583521 -61.99517510 Cd 1.64685009 0.26959405 1.67626233 -14.38910565 -15.77514522 51.19589178 Cd 2.85402479 1.62848498 1.49207130 36.70144142 9.89378465 58.39882640