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=1140729.1569373512 stress="-4530514.287933238 -565834.0233951462 -298547.79493279604 -565834.0233951462 -3908295.491590609 642570.1426168226 -298547.79493279604 642570.1426168226 -5324804.073026018" pbc="F F F" Rb -0.12725312 0.47425497 0.00081156 -54332.86178485 -91261.51098824 -51771.50747992 Rb 1.50570195 1.51010775 -0.19171913 82046.12454333 16584.60489756 -64445.74577178 Rb 1.76782341 0.30872463 1.46272946 -84259.80505484 -49869.97280926 49519.95830330 Rb 0.07206628 1.58194822 1.55071157 -188483.34929236 -679631.88406132 674583.66807034 Rb 2.94622424 0.12806433 0.05244040 3682.62335174 -83400.43967592 -98809.95305245 Rb 4.51706204 1.04399606 0.41472876 94197.43063171 108017.34119281 -165803.95964078 Rb 4.67953968 -0.23175316 1.60739274 37456.92257408 -220117.48802895 55073.43207217 Rb 3.11051184 1.72143364 1.72711922 -264064.76615925 -244869.90609028 87663.13171162 Rb -0.03520911 2.49319449 0.27959245 -167364.68010198 473299.70252431 -767151.69072536 Rb 1.47268026 4.78882241 0.06433589 4242.43793803 17557.81273420 -25473.24349056 Rb 1.32329297 2.73494633 1.60103208 319313.01680624 295467.98504264 -185327.68307090 Rb -0.01113482 4.06475910 1.26192699 -69531.74386159 129765.75755337 30380.47382379 Rb 3.20724943 3.33747449 -0.11409905 -310653.97980982 -120381.06683716 -292356.01544547 Rb 4.37805325 4.53655005 0.30221470 486512.28707281 213792.40902318 -244426.48281927 Rb 4.25266923 2.76339301 1.12539518 433944.24250277 187120.38460792 77719.23007234 Rb 3.13880869 4.52621423 1.39763254 -330328.47280341 50838.50955595 319512.36689692 Rb 0.01696918 -0.12458370 2.90708434 -12669.58164567 -17638.34886690 2091.30222712 Rb 1.47756275 1.72755087 3.00559160 76364.01514023 -201917.09991887 187748.14319022 Rb 1.70822594 0.15216187 4.38219378 -293881.78324010 81888.51724571 368423.12351689 Rb -0.13021685 1.40767372 4.64787388 -11850.42007984 1645.57074813 13999.15564840 Rb 2.70298361 -0.28169472 3.15282877 288004.09821426 -150240.89070707 -332783.82019968 Rb 4.46016590 0.99406816 2.95462237 37651.99985653 174301.26590321 -117709.55587103 Rb 4.42374636 0.19684849 4.47880858 7779.95914413 -122024.62398484 230706.88114940 Rb 2.85293565 1.78778164 4.65304073 39967.32183790 -159969.67652775 138960.83678811 Rb 0.07265795 2.90563628 2.97093834 -169595.50190338 81725.19351059 110090.67548102 Rb 1.40788465 4.43889705 2.94964386 673.39744083 87205.07991390 -57521.08074387 Rb 1.79624897 3.24410588 4.34193992 -340664.43595279 -108056.92358533 122886.55699973 Rb -0.18039668 4.72666511 4.48233243 -8529.52343619 5326.17059294 8585.23853715 Rb 3.17658462 2.89334666 3.24119497 -715100.04834103 -147045.08821528 -988362.58112426 Rb 4.64588739 4.53682934 2.83684022 29070.13773269 25632.34178931 -6121.27688326 Rb 4.24501216 3.16037745 4.29512386 969058.41192805 141478.10445591 849837.29489468 Rb 2.98434962 4.46111321 4.51579420 111346.52675175 304778.16900552 70283.12693542