32 Lattice="62.329824447631836 0.0 0.0 0.0 62.329824447631836 0.0 0.0 0.0 62.329824447631836" Properties=species:S:1:pos:R:3:forces:R:3 energy=-23.18349409866599 stress="-3.22674923575557e-05 1.4056295046773284e-05 -3.059283294987352e-05 1.4056295046773284e-05 -4.790503302132116e-05 -2.0853229951518403e-05 -3.059283294987352e-05 -2.0853229951518403e-05 -4.711300092167729e-05" free_energy=-23.18349409866599 pbc="F F F" Cd 31.04441647 31.28561772 31.27861098 0.38869938 -0.92837907 -0.60912361 Cd 33.56564546 33.00325322 31.03019153 -2.61144446 1.83234079 0.38799593 Cd 33.18435264 31.02749369 33.50798918 -0.24375218 0.60058898 -0.37007211 Cd 30.98001874 33.32816429 33.04426211 0.69715135 0.80940685 0.86736371 Cd 35.51437092 31.37965927 31.33374048 2.00526280 -2.03769850 0.57047690 Cd 37.89730877 32.95895168 31.05283065 0.00095650 0.26324157 0.29568422 Cd 37.66646286 31.35055459 33.54584719 0.39075914 -1.77700465 -2.38518959 Cd 35.77006596 33.55416005 33.51335246 -1.04837576 -0.99863734 -0.92643575 Cd 31.29032549 35.64839998 31.09189567 0.23471968 0.21855279 0.38394022 Cd 33.56594689 37.62521409 31.29241415 -1.05259915 0.48598015 -0.75584214 Cd 33.42304668 35.58183136 33.30802395 -0.68361855 -0.81155894 0.15944260 Cd 31.12982336 37.68333726 33.36690910 0.41545067 0.30869348 -1.11814823 Cd 35.77686436 35.76617186 31.40775282 -0.49510104 -0.83238521 -2.16584453 Cd 37.93856903 37.87022088 31.28911797 -0.38878426 -0.35311715 0.34286480 Cd 37.66053458 35.70545332 33.36267736 2.10141324 0.20928764 0.63177825 Cd 35.45535942 37.69442102 33.40232403 0.92516872 1.38384919 0.99150517 Cd 31.03984766 31.14464174 35.90468559 -0.12196996 -0.60916964 -1.42957091 Cd 33.34719933 33.20636786 35.59958227 0.06925096 0.50039381 -0.03006856 Cd 33.34345188 31.03275139 37.58862022 0.43116938 -0.03931940 0.50372796 Cd 31.09813218 32.94348515 37.91872359 0.34695443 0.81215470 0.64647801 Cd 35.84387556 31.10975660 35.72648354 -0.67167230 0.34051472 0.84404409 Cd 37.93875405 33.16258165 35.43791532 0.40935783 1.61913964 2.15587722 Cd 37.99615534 31.33398491 37.91263546 -0.60704919 0.42743530 -0.30512731 Cd 35.44692090 33.34772283 38.02722846 0.35647869 -0.45058666 -0.87294592 Cd 31.45003226 35.94318797 35.46857169 -0.99686773 -1.22678909 0.89140719 Cd 33.56780449 37.78048582 35.72529809 0.12571097 0.99067048 -0.73293281 Cd 33.20948113 35.85269419 37.77413146 1.05733637 -1.84145106 0.65808905 Cd 31.27626938 37.69896555 37.90172795 -0.94692154 0.86827249 -0.22525496 Cd 35.70148576 35.59043739 35.54671811 -1.02305276 0.30566715 0.33772182 Cd 37.95695449 37.76377465 35.38683417 -0.54728088 -0.23291706 0.39887584 Cd 37.67534942 35.60273514 37.50116149 0.66414708 0.18159816 0.74170982 Cd 35.47982125 37.62767966 37.84028077 0.81850257 -0.01877412 0.11757362