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=53714.060661801595 stress="-3.140678404068207 0.4462216787940202 -0.8518181592305781 0.4462216787940202 -2.4891290739266694 0.47965382777373183 -0.8518181592305781 0.47965382777373183 -3.191814285862417" free_energy=53714.060661801595 pbc="F F F" Sr 20.99960268 20.91086649 20.89911246 -1198.24817680 -934.21739628 -858.40539248 Sr 22.51089318 22.39728123 21.05828329 -11148.48964946 1473.04198213 -1096.32993872 Sr 22.44318488 20.94683850 22.56719873 -925.85071716 -2959.98111433 1970.13511114 Sr 20.75030548 22.11128140 22.87405878 -2254.65999961 1482.10164982 -1315.31723662 Sr 23.68927513 21.03700718 21.09305779 7572.41045255 -8196.41014000 -3108.58870338 Sr 25.44782225 22.27716647 20.91547676 9581.40300554 -3074.29039577 -11425.03147872 Sr 25.70772920 21.01234475 22.55415513 860.56042779 -3502.64619385 -1850.79970392 Sr 24.35370706 22.78447721 22.17807958 -4839.42304507 -10411.14902784 19810.89904577 Sr 21.00940185 24.11301173 20.80608750 -644.15416995 -448.15214503 -1202.80252431 Sr 22.73828730 25.71634332 21.29743846 -29910.42263923 8597.04152549 -33347.06968151 Sr 22.26920363 24.28713023 22.76832193 23090.66387962 -26351.92800620 2365.66934513 Sr 21.05764364 25.35017281 22.53988083 -27122.23294446 23832.64276532 -4246.17901852 Sr 23.63952622 23.81033197 20.97420178 -1688.00901818 14116.18189579 -12702.29115263 Sr 25.51827609 25.62720042 20.77728663 1358.31950750 5176.53907233 -5719.62360402 Sr 25.25188889 24.39778790 22.10670758 10109.83569020 -3788.04171824 4115.29240262 Sr 23.83313378 25.48428039 22.43751610 29782.08396515 -246.80044359 25921.62461780 Sr 21.16688184 20.77247702 24.38821395 -12855.51826384 -6958.66214816 -8053.34115501 Sr 22.53239175 22.26547123 24.13645835 -2064.77600041 15731.73270872 -19130.54665703 Sr 22.45417766 21.22584156 25.45473526 8156.21376499 -11567.57603581 30015.34102114 Sr 21.00545514 22.65386371 25.60359717 -2894.09164441 -2039.01001539 4224.11365990 Sr 23.94918987 20.89491490 24.27047794 2818.30897544 -7431.17065381 -4713.29749806 Sr 25.61119478 22.19699594 24.07680876 4580.44237185 2648.68414795 -1888.15988611 Sr 25.60689428 20.86474776 25.59196420 1248.99634539 -1870.75192688 2383.67957025 Sr 24.13703482 22.50323621 25.25187638 -6697.78898184 -6553.15552893 10578.34613825 Sr 20.85906229 23.94625649 24.18063484 -7844.31542616 -410.13659160 -5808.33502815 Sr 22.90318719 25.67958698 23.98864884 -21391.40237762 6446.14768262 -20511.72210589 Sr 22.34805550 24.15147358 25.25144101 8121.89191985 -4129.89224422 5742.05369367 Sr 21.15885827 25.57221003 25.30910092 -4414.82490219 6839.55283720 1997.59721096 Sr 23.90005296 23.72439036 23.92548515 1584.55766193 6217.26775568 -4814.66522805 Sr 25.34741810 25.53756299 24.04994461 2530.27047238 570.13902919 -650.54392006 Sr 25.43202416 23.67371251 25.60501387 8192.25845437 7656.80200398 3345.88225875 Sr 23.81092699 25.61456579 25.34279531 18305.99106185 86.09666971 29972.41583781