32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=313.5460312268057 stress="-1359.0592539447855 -117.85929820373065 -95.83243502345158 -117.85929820373065 -1485.0292496498996 -285.33836436992823 -95.83243502345158 -285.33836436992823 -1191.2220876140018" pbc="F F F" Xe -0.11484978 0.53416980 -0.00510511 -15.63847238 -59.56788198 -77.19251987 Xe 1.62534107 1.24215591 -0.18876759 -181.46353650 106.77650023 -15.70059963 Xe 1.74870551 0.20916388 1.94396896 -226.65580871 -33.78337388 -194.70372812 Xe -0.09227944 1.46487513 1.35651740 -22.05808885 48.34730203 55.32013898 Xe 2.84299849 0.28067161 -0.14600920 163.57627642 -144.59362456 -8.58122285 Xe 4.25777085 1.81801117 -0.03470433 42.71702992 -18.08490240 -10.51906225 Xe 4.38902950 0.40505487 1.36925008 17.02266353 -19.21878217 -4.06389811 Xe 2.81341379 1.41211191 1.36819569 28.72649893 56.67945564 -0.89328860 Xe -0.26766521 3.46067056 0.28709788 -25.18557069 -300.87339458 -226.61952317 Xe 1.51555166 4.65843008 -0.27799128 -0.21006458 1.58902116 -3.36106377 Xe 1.07969452 2.76725885 1.76367583 56.33137476 5.17467218 -71.37518403 Xe -0.18124071 4.65236227 1.17115300 18.36374331 305.92052367 219.26041690 Xe 2.71402990 2.63144004 -0.18090579 -15.04068499 54.57670057 -11.18337329 Xe 4.55706378 4.52096381 0.17479828 47.58389757 83.09148110 -95.40948255 Xe 4.39301372 3.29897819 1.24510387 23.29256642 -107.69069612 75.05616635 Xe 3.09120323 4.46605271 1.12728820 -71.34080026 26.64551218 9.58594250 Xe 0.10189173 0.17129611 2.63238807 -28.93136330 -19.34127435 27.74266786 Xe 1.73560854 1.75725912 3.04934366 -220.83221745 -329.51627571 -56.80071904 Xe 1.59697690 0.07833662 4.40102489 -5.89650646 -3.14131377 10.49359090 Xe -0.06657961 1.57148952 4.34266824 -6.28010911 -1.37141541 2.17414273 Xe 2.87856447 0.10442446 2.94668634 225.74590670 -31.74703633 190.24228623 Xe 4.59374198 1.30099827 3.07682177 21.10115930 8.65185860 -17.22223275 Xe 4.68666362 -0.15509346 4.32873451 1.73345242 -9.92617492 8.44248820 Xe 3.40935913 1.78095534 4.36657610 -20.28363805 -37.82480906 36.33274727 Xe -0.13931317 3.35571044 2.75472860 -63.95090391 16.60748546 41.71188624 Xe 1.47295019 4.47625430 2.52375770 7.29967628 19.03620396 5.97381874 Xe 1.64208696 2.71455595 4.39610637 -59.00197366 41.24469786 142.76180548 Xe 0.22960126 4.05483542 4.55258391 -5.49130263 10.00119716 9.35979252 Xe 2.70193017 2.88958254 3.13609325 282.72099244 296.66613883 -66.13191021 Xe 4.09882142 4.57955738 2.73338694 9.37675726 7.19940689 14.39025283 Xe 4.60285495 3.07693541 4.62103598 24.89477464 24.12559293 5.86714731 Xe 2.96519847 4.52266717 4.48761440 -2.22572838 4.34720477 5.04251721