32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=313.54603122680544 stress="-0.018343851284213116 -0.001590801455076871 -0.0012934946958137454 -0.001590801455076871 -0.02004412657447758 -0.0038513438663472016 -0.0012934946958137454 -0.0038513438663472016 -0.016078475429408257" free_energy=313.54603122680544 pbc="F F F" Xe 20.88515022 21.53416980 20.99489489 -15.63847238 -59.56788198 -77.19251987 Xe 22.62534107 22.24215591 20.81123241 -181.46353650 106.77650023 -15.70059963 Xe 22.74870551 21.20916388 22.94396896 -226.65580871 -33.78337388 -194.70372812 Xe 20.90772056 22.46487513 22.35651740 -22.05808885 48.34730203 55.32013898 Xe 23.84299849 21.28067161 20.85399080 163.57627642 -144.59362456 -8.58122285 Xe 25.25777085 22.81801117 20.96529567 42.71702992 -18.08490240 -10.51906225 Xe 25.38902950 21.40505487 22.36925008 17.02266353 -19.21878217 -4.06389811 Xe 23.81341379 22.41211191 22.36819569 28.72649893 56.67945564 -0.89328860 Xe 20.73233479 24.46067056 21.28709788 -25.18557069 -300.87339458 -226.61952317 Xe 22.51555166 25.65843008 20.72200872 -0.21006458 1.58902116 -3.36106377 Xe 22.07969452 23.76725885 22.76367583 56.33137476 5.17467218 -71.37518403 Xe 20.81875929 25.65236227 22.17115300 18.36374331 305.92052367 219.26041690 Xe 23.71402990 23.63144004 20.81909421 -15.04068499 54.57670057 -11.18337329 Xe 25.55706378 25.52096381 21.17479828 47.58389757 83.09148110 -95.40948255 Xe 25.39301372 24.29897819 22.24510387 23.29256642 -107.69069612 75.05616635 Xe 24.09120323 25.46605271 22.12728820 -71.34080026 26.64551218 9.58594250 Xe 21.10189173 21.17129611 23.63238807 -28.93136330 -19.34127435 27.74266786 Xe 22.73560854 22.75725912 24.04934366 -220.83221745 -329.51627571 -56.80071904 Xe 22.59697690 21.07833662 25.40102489 -5.89650646 -3.14131377 10.49359090 Xe 20.93342039 22.57148952 25.34266824 -6.28010911 -1.37141541 2.17414273 Xe 23.87856447 21.10442446 23.94668634 225.74590670 -31.74703633 190.24228623 Xe 25.59374198 22.30099827 24.07682177 21.10115930 8.65185860 -17.22223275 Xe 25.68666362 20.84490654 25.32873451 1.73345242 -9.92617492 8.44248820 Xe 24.40935913 22.78095534 25.36657610 -20.28363805 -37.82480906 36.33274727 Xe 20.86068683 24.35571044 23.75472860 -63.95090391 16.60748546 41.71188624 Xe 22.47295019 25.47625430 23.52375770 7.29967628 19.03620396 5.97381874 Xe 22.64208696 23.71455595 25.39610637 -59.00197366 41.24469786 142.76180548 Xe 21.22960126 25.05483542 25.55258391 -5.49130263 10.00119716 9.35979252 Xe 23.70193017 23.88958254 24.13609325 282.72099244 296.66613883 -66.13191021 Xe 25.09882142 25.57955738 23.73338694 9.37675726 7.19940689 14.39025283 Xe 25.60285495 24.07693541 25.62103598 24.89477464 24.12559293 5.86714731 Xe 23.96519847 25.52266717 25.48761440 -2.22572838 4.34720477 5.04251721