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=87825.32019699365 pbc="F F F" Lr 0.19796449 0.13113166 0.03324654 103 -4035.75750772 -60136.50358773 -66804.24378793 Lr 1.78592604 1.39886411 -0.01877435 103 -10789.10754283 15068.63325860 -226.90600909 Lr 1.30281082 -0.08089767 1.37787827 103 40875.18908223 -4864.68394741 -27113.93196611 Lr 0.09874009 1.23351916 1.07263671 103 -12943.91089859 66238.03129924 56389.23487298 Lr 2.66137947 -0.02673749 -0.19567615 103 12101.58268404 -18749.26430880 -3690.67207700 Lr 4.51149426 1.72569466 -0.02916437 103 1063.80823756 -65.18920189 -1678.50490233 Lr 4.35013824 0.01315282 1.70278969 103 47182.78924876 -18256.60163449 -33671.56529426 Lr 3.20646671 1.30938603 1.53843313 103 -40358.16809934 13017.28122952 -54831.26580543 Lr 0.01060402 3.06599967 -0.11294400 103 -640.42885911 334.03286829 -966.28007607 Lr 1.74458861 4.67622090 0.29481292 103 -14403.54039365 12497.15408530 -7973.89069026 Lr 1.28777075 3.12936974 1.76883429 103 12210.61823262 -32698.10773014 -21491.19472019 Lr 0.28968673 4.50420822 1.66633828 103 -26429.02333201 18064.67159453 -14870.23545537 Lr 2.47129229 3.12500820 -0.10088252 103 6858.43867360 -6067.97187353 -4200.29717019 Lr 4.20398278 4.48784107 0.26510605 103 39152.63039018 -1744.11848151 -39415.00813225 Lr 4.29306746 2.92623877 1.77037500 103 8245.41954090 37620.43478444 -31417.07141254 Lr 3.10076864 4.56122565 1.37635323 103 -28284.61154669 3987.15245220 46123.82457606 Lr 0.37747808 -0.20711273 2.65317519 103 -29278.52735405 -4612.95438868 39887.01673186 Lr 1.87326799 1.66659233 2.97347956 103 -5087.07096503 -1244.95539762 -2559.65049104 Lr 1.82943806 -0.23075348 4.29948281 103 -706.99109658 -1202.86796408 1461.96508325 Lr 0.09896326 1.47187906 4.74084847 103 -624.15291094 -512.05362408 390.02259727 Lr 3.17628500 0.15179956 2.74860424 103 -40077.85039091 -19311.60876355 48472.87861299 Lr 4.20809808 1.65446568 2.71008778 103 34050.67861653 -19413.35325964 65796.17457943 Lr 4.53530314 0.29923670 4.48274818 103 1660.55532803 -1235.52191871 791.82981136 Lr 2.95678764 1.60742739 4.50863944 103 7599.99843422 -7468.64685165 5124.70234707 Lr -0.07746034 2.96696356 2.97330319 103 -7025.79802507 -2525.82556032 5395.56391936 Lr 1.47344531 4.35792222 2.86516003 103 15203.37438887 20374.21270910 31225.41525719 Lr 1.74061633 2.90760813 4.53325151 103 -8614.78205268 7413.83052835 3388.89934591 Lr -0.25374797 4.69850495 4.50001865 103 -175.82306964 272.07407653 326.71700977 Lr 3.17492567 3.42916318 3.17891319 103 -13815.60004127 -3312.57845574 -10830.43462427 Lr 4.48975286 4.70861918 2.98626787 103 5652.57556584 5778.07371272 -380.11449345 Lr 4.28542886 3.15511919 4.46933735 103 13783.46210638 -4290.95307655 12181.61540086 Lr 2.98045328 4.55421043 4.66305048 103 -2349.97644363 7048.17742729 5165.40696242