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=53714.060661801675 stress="-232686.58160060583 33059.671738492325 -63109.50378107598 33059.671738492325 -184414.59482907914 35536.59279209997 -63109.50378107598 35536.59279209997 -236475.1368109748" pbc="F F F" Sr -0.00039732 -0.08913351 -0.10088754 -1198.24817680 -934.21739628 -858.40539248 Sr 1.51089318 1.39728123 0.05828329 -11148.48964946 1473.04198213 -1096.32993872 Sr 1.44318488 -0.05316150 1.56719873 -925.85071716 -2959.98111433 1970.13511114 Sr -0.24969452 1.11128140 1.87405878 -2254.65999961 1482.10164982 -1315.31723662 Sr 2.68927513 0.03700718 0.09305779 7572.41045255 -8196.41014000 -3108.58870338 Sr 4.44782225 1.27716647 -0.08452324 9581.40300554 -3074.29039577 -11425.03147872 Sr 4.70772920 0.01234475 1.55415513 860.56042779 -3502.64619385 -1850.79970392 Sr 3.35370706 1.78447721 1.17807958 -4839.42304507 -10411.14902784 19810.89904577 Sr 0.00940185 3.11301173 -0.19391250 -644.15416995 -448.15214503 -1202.80252431 Sr 1.73828730 4.71634332 0.29743846 -29910.42263923 8597.04152549 -33347.06968151 Sr 1.26920363 3.28713023 1.76832193 23090.66387962 -26351.92800620 2365.66934513 Sr 0.05764364 4.35017281 1.53988083 -27122.23294446 23832.64276532 -4246.17901852 Sr 2.63952622 2.81033197 -0.02579822 -1688.00901818 14116.18189579 -12702.29115263 Sr 4.51827609 4.62720042 -0.22271337 1358.31950750 5176.53907233 -5719.62360402 Sr 4.25188889 3.39778790 1.10670758 10109.83569020 -3788.04171824 4115.29240263 Sr 2.83313378 4.48428039 1.43751610 29782.08396515 -246.80044359 25921.62461780 Sr 0.16688184 -0.22752298 3.38821395 -12855.51826384 -6958.66214816 -8053.34115501 Sr 1.53239175 1.26547123 3.13645835 -2064.77600041 15731.73270872 -19130.54665703 Sr 1.45417766 0.22584156 4.45473526 8156.21376499 -11567.57603581 30015.34102114 Sr 0.00545514 1.65386371 4.60359717 -2894.09164441 -2039.01001539 4224.11365990 Sr 2.94918987 -0.10508510 3.27047794 2818.30897544 -7431.17065381 -4713.29749806 Sr 4.61119478 1.19699594 3.07680876 4580.44237185 2648.68414795 -1888.15988611 Sr 4.60689428 -0.13525224 4.59196420 1248.99634539 -1870.75192688 2383.67957025 Sr 3.13703482 1.50323621 4.25187638 -6697.78898184 -6553.15552893 10578.34613825 Sr -0.14093771 2.94625649 3.18063484 -7844.31542616 -410.13659160 -5808.33502815 Sr 1.90318719 4.67958698 2.98864884 -21391.40237762 6446.14768262 -20511.72210589 Sr 1.34805550 3.15147358 4.25144101 8121.89191985 -4129.89224422 5742.05369367 Sr 0.15885827 4.57221003 4.30910092 -4414.82490219 6839.55283720 1997.59721096 Sr 2.90005296 2.72439036 2.92548515 1584.55766193 6217.26775568 -4814.66522805 Sr 4.34741810 4.53756299 3.04994461 2530.27047238 570.13902919 -650.54392006 Sr 4.43202416 2.67371251 4.60501387 8192.25845436 7656.80200398 3345.88225875 Sr 2.81092699 4.61456579 4.34279531 18305.99106185 86.09666971 29972.41583781