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:Z:I:1:forces:R:3 energy=426878.3135018024 pbc="F F F" U 0.15615588 0.29021824 0.00935549 92 -172800.50397780 -216413.54998428 -52484.33112181 U 1.26811353 1.44649047 0.01693782 92 201139.91799188 154682.51133241 -41477.73899723 U 1.79333039 -0.06234853 1.30206722 92 -90209.71715573 -17102.80970560 50212.90294960 U 0.00986477 1.40451424 1.39970153 92 -36450.49682552 11763.80583817 81035.61609332 U 3.14559235 -0.16970271 0.23180600 92 69881.91301319 -22245.92391264 -67884.89116109 U 4.23537457 1.64074687 -0.12680103 92 48319.20362395 -29302.13644778 -36549.39750993 U 4.61006157 0.27581333 1.78644237 92 96578.26024978 -47711.51661385 -127474.74846289 U 2.95481666 1.55616283 1.27505396 92 1788.29713439 -38478.12961698 54571.45795389 U 0.14372734 2.91039601 0.30645440 92 -29420.74915388 40803.77872140 -27615.85344344 U 1.42550752 4.58105989 0.09074106 92 -764.52270216 11500.74954442 -22931.33860939 U 1.74093123 3.00178901 1.61167458 92 -37967.42240790 -67151.77567494 -97591.63466126 U 0.14455576 4.46202575 1.62007282 92 -27362.19903274 17975.93825602 2725.19104917 U 2.83958287 2.85560946 0.03328241 92 -36589.43840200 53307.18028437 -76104.28505075 U 4.24609609 4.54587458 0.31279225 92 171910.55840189 85342.21998730 -191434.49677058 U 4.28619469 3.08359479 1.22266052 92 48533.13509599 -74357.81088015 73214.99795897 U 2.99006906 4.55291520 1.33382461 92 -151705.46829099 35905.54977680 129559.09028928 U 0.10610751 0.13190602 3.05877483 92 -5927.46671172 -173294.84612280 -161845.07334223 U 1.40345013 1.78209876 3.01885775 92 64981.47093823 -65131.35770834 -46238.48988193 U 1.74501964 0.23461525 4.18013502 92 -211539.73573073 -238608.68454136 -14925.65469490 U 0.02504457 1.27816175 4.19347928 92 -49896.23193108 145523.49009792 186515.06755532 U 3.14678226 -0.01516098 2.65343613 92 -74930.05411125 -39719.62179421 52745.71283422 U 4.48544746 1.27575798 3.17397357 92 22322.47213654 95515.54010505 59877.77682288 U 4.39306504 -0.11622249 4.42851259 92 7629.54797052 -30122.22497170 25983.82947758 U 2.88094580 1.30518441 4.37353932 92 233422.47745265 201455.85038968 55059.40510510 U 0.12073884 2.96586535 3.11429500 92 -74391.30172585 40606.00328501 -21249.28468493 U 1.72143889 4.24212330 2.76405531 92 -76979.47610587 157504.28497588 89304.44414857 U 1.59304446 2.71255469 4.61097245 92 4347.13076182 21125.71265763 44495.52792405 U 0.20500252 4.09448159 4.62365932 92 -12946.21590558 30891.99180361 25188.74067620 U 3.02988623 3.15226389 2.95610881 92 83057.77292974 -65309.04335756 13616.62930172 U 4.63921650 4.46652369 2.93926573 92 10319.10442643 10053.12123429 865.25408385 U 4.08770548 3.03600728 4.50436970 92 27117.82393382 -3892.50547272 31011.27630323 U 2.73344180 4.58246499 4.58708028 92 -1468.08589001 14884.20851498 9824.29786537