32 Lattice="6.5 0.0 0.0 0.0 6.5 0.0 0.0 0.0 6.5" Properties=species:S:1:pos:R:3:forces:R:3 energy=1871.477569253426 stress="-32.25586605818374 4.027239636108255 2.183510700805033 4.027239636108255 -36.412713803646064 -0.5682581887813449 2.183510700805033 -0.5682581887813449 -26.530823797473904" free_energy=1871.477569253426 pbc="F F F" Xe 0.26111147 0.22232616 0.40638436 -1208.68864802 -1628.25593813 250.36401384 Xe 1.44628623 1.76356038 0.06808759 1623.20718122 1044.15252569 -383.33805311 Mo 1.49406282 0.07145366 2.05456307 155.60783613 -152.69946389 -443.69291137 Mo 0.07609989 1.50189326 1.74219846 -168.80823119 116.40210184 -574.62417441 U 3.57906411 0.10607840 0.33070584 -39.19462830 -65.19738524 -36.03575246 U 4.72415582 1.60558377 0.13236414 297.97681002 -408.42265388 -282.80170725 U 4.62206939 0.06498952 1.57918885 71.91524504 -56.28565593 23.63346106 U 3.28996576 1.29332515 1.34147147 23.79801656 -200.94760369 166.09587994 Xe 0.07493195 3.38169046 0.08370804 -454.37433120 512.19239542 -10.05417732 Xe 1.93850360 5.06720672 0.14756181 -16.00914558 22.69385558 -22.72784189 U 1.70677926 3.05522007 1.65923091 -129.39130812 345.33157690 5.71348711 Mo 0.12825991 5.15108301 1.96719483 -233.78125633 15.88169697 -238.56950696 Mo 3.24042110 2.99650446 0.13311255 -14.21859539 482.06266121 -439.75951264 Xe 4.83965925 4.53300124 0.26963634 437.90015645 -81.66743417 -378.75809578 Mo 4.83652494 3.13529253 1.61012478 29.57604119 414.97081910 -5.78296302 Mo 3.56820328 4.88661149 1.31798407 -408.61882031 130.85186561 359.70013162 Xe 0.08318140 0.31805698 2.95354704 -489.29238116 -334.22469796 696.86594768 Mo 1.72252753 1.70150939 2.95703495 116.74697427 -319.88585272 210.17994673 Mo 1.49037308 0.02278034 4.79529501 244.73146914 -231.64202513 -21.32868823 U 0.06109240 1.32532005 4.99133811 -251.83609129 225.31475372 51.31740528 U 3.29810421 0.11524669 3.19589517 373.17845134 -167.29311358 152.10725177 U 4.87618534 1.85225014 3.21525369 34.33594097 -206.55929191 232.37377703 Xe 4.62404080 0.33338219 4.73893397 36.27205345 -39.47264074 14.50787054 Mo 3.25753446 1.66729976 4.86370350 -47.06916560 63.35761080 83.95439198 U 0.23939028 3.05557629 3.29165967 -233.52061159 465.14052140 299.02430746 U 1.62928034 5.08769792 3.54392997 456.67941408 64.57695369 9.83103030 U 1.60493658 3.37986364 5.03845606 228.34725022 -234.18088387 43.78453630 Mo 0.14223686 4.78192346 4.91359676 -484.21203696 182.36569356 206.89394977 Xe 3.40839896 3.46468373 3.47428872 -567.97082424 -631.30478896 -1371.12551677 Mo 4.91272122 5.08068317 2.96748145 12.66998923 12.69757461 2.73068977 Xe 4.91930989 3.11744940 4.92490507 965.82349608 -681.77214611 416.21588125 Xe 3.59194347 4.74611754 5.06223373 -361.78025011 1341.81896982 983.30494179