32 Lattice="7.536788334595258 0.0 0.0 0.0 7.536788334595258 0.0 0.0 0.0 7.536788334595258" Properties=species:S:1:pos:R:3:forces:R:3 energy=-207.43129012187686 stress="-0.04034853347698154 0.0028179322404329184 -0.002291755956142833 0.0028179322404329184 -0.03806001067362309 0.010595262358794497 -0.002291755956142833 0.010595262358794497 -0.03719228046616762" free_energy=-207.43129012187686 pbc="F F F" Re 0.01319081 0.01214484 0.03006990 0.79549200 0.49017535 0.49029148 Re 1.95172042 1.90775926 0.01554032 -0.74500293 -0.74152338 -1.53725617 W 1.91905529 0.02296463 1.89483451 -2.00653772 -1.81366710 -1.19994533 W 0.03380738 1.87668544 1.85655305 -1.74143292 -1.02283081 1.18520556 Re 3.79895100 0.01506645 0.01668279 -0.69332562 -0.83546717 -0.51779364 W 5.61515213 1.86850323 0.00956333 1.64789537 1.35470114 -1.61658763 W 5.67099625 0.01337634 1.86114657 0.69728872 -1.28561700 1.46140151 W 3.79505468 1.85055774 1.87964709 -0.89231573 3.45650789 0.58451372 W 0.02029375 3.76628346 0.03283528 -1.43313959 0.45133893 -2.04083390 Re 1.86478526 5.64929847 0.00864965 0.93543642 -0.07927598 0.10645556 W 1.85186410 3.77703191 1.87221351 2.63613776 0.48678158 1.32746471 Re 0.01741032 5.66738524 1.87177900 -0.34559660 0.07045519 0.67369418 Re 3.78594715 3.76167902 0.00503040 -0.12058584 1.07211290 -0.50742121 W 5.66957737 5.68723513 0.00361544 -0.50745602 -0.91691667 0.80800323 W 5.66312658 3.78820668 1.89655417 1.32154457 -0.48755010 -1.12506043 Re 3.80283212 5.67834773 1.91921575 -0.50084962 0.87325126 -1.23717933 W 0.00358223 0.00099677 3.76029204 0.59135249 0.55820007 0.08830770 W 1.87332936 1.91682476 3.79689717 1.45983753 -1.58205296 -1.01890734 Re 1.94171965 0.02779279 5.67946832 -0.58579085 -0.42749694 -0.12399590 W 0.02980796 1.87942863 5.68582640 -0.34345068 -0.57850106 0.47341273 W 3.74775580 0.02705982 3.75112826 1.48246267 -1.96345879 2.32428254 W 5.65496034 1.87738484 3.79833974 0.69103223 -0.00195108 -0.48583063 Re 5.65259520 0.03359068 5.67684346 -0.71953129 0.44722521 -0.62371037 Re 3.73913052 1.88492252 5.65191182 1.28806996 0.32289433 1.04967334 W 0.02836067 3.75909499 3.82988896 -1.96876959 1.67891614 -0.77795118 Re 1.91174904 5.62577086 3.74534750 -0.49929120 1.19304755 0.97518320 Re 1.93111638 3.75112851 5.67213516 -0.24332689 1.21012446 1.14230178 Re 0.03640446 5.66756715 5.68802315 0.81174111 -0.80108969 -0.84206026 W 3.78911603 3.79317964 3.74670164 -0.65481116 -0.89467059 1.16329616 Re 5.67108261 5.62238799 3.76951198 0.33683387 0.53914983 0.13806906 Re 5.66678356 3.76084807 5.63262272 -0.28892345 -0.33043571 0.22057057 Re 3.80326030 5.66644656 5.67086000 -0.40498701 -0.44237679 -0.55759372