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=16402677.8325 stress="-2352745.96754332 1025822.1801248484 -1590258.4428505471 1025822.1801248484 -2334516.1923147743 -725626.2842314247 -1590258.4428505471 -725626.2842314247 -3058459.0572899147" pbc="F F F" Nb -0.10536601 -0.01195195 0.22764761 -838085.79904611 -84505.58720651 -867632.37234598 Nb 1.98640856 1.41110488 -0.09941514 -27119907.30010714 59823819.84305061 -18839073.96982218 Nb 1.13745177 -0.03253810 1.37986355 824687.82080234 -15677.96086969 798862.22898815 Nb -0.20567984 1.32650892 1.36625133 -7981.63864938 99098.04262275 83788.70515924 Nb 2.61074450 0.03388015 0.33428437 27141106.24223698 -59823071.48566727 18823728.87764394 Nb 4.67141161 1.50606044 -0.05719033 16.24047352 -0.97254046 -19.77535218 Nb 4.28802619 0.22277084 1.68584377 -28284400.05657643 -68777238.53099872 -71226602.93852592 Nb 3.26540736 1.50103927 1.43076769 -2555680.25804895 3194830.45223886 -637316.21682062 Nb 0.11386105 3.19026361 0.02633159 772680.52440667 -2712620.35303458 -3042076.92240369 Nb 1.83655829 4.23857576 0.28611486 -7972636.63943591 5326186.99466184 -70947.01365544 Nb 1.54592252 2.75949709 1.48946922 -46.34804976 2560.33687812 -2488.94079724 Nb -0.19471911 4.27354935 1.24118378 -774644.52255739 2716186.58505278 3035620.58206718 Nb 3.19178619 3.32971334 0.29140871 -5756177.01606081 -14651755.20237562 -32256281.20089675 Nb 4.37865559 4.49799353 -0.00987712 877881.81418156 864221.94530792 -222967.17294246 Nb 4.28091226 3.20869436 1.46603997 25976566.75494396 -9876772.91121258 14818863.70672630 Nb 2.99545237 4.18005148 1.64547000 -13093374.95565663 19174118.48133528 16349783.96470748 Nb -0.16961849 -0.15895150 3.08607961 -17.13256149 -17.29215243 -7.80364808 Nb 1.62152625 1.33956097 2.69483433 -743.07560945 -2147.13114986 2409.72783134 Nb 1.51013567 -0.11048879 4.27021214 -129.92525163 -45.98879967 112.82204555 Nb -0.11564877 1.35921216 4.45340946 -7.96133098 11.78745364 12.92937169 Nb 3.05523739 0.16106339 3.09658288 -2647.02344426 -1267.43062886 541.74872696 Nb 4.75978669 1.22592512 2.78504734 30853258.33830042 65609129.51854087 71809464.89697126 Nb 4.42602315 0.43735056 4.34909907 -9328.06674760 -26124.64442032 54243.61247859 Nb 2.71476644 1.51955688 4.52652120 -14.39507763 45.26323339 50.77170198 Nb 0.27337512 3.40952788 2.80231043 953.81331117 -3860.00314646 6267.32908760 Nb 1.84095634 4.40479032 3.25977030 -134248676.74112812 25292974.65867468 -152386000.03501573 Nb 1.28220450 3.28278197 4.46599038 52098490.55346056 -47624730.89983591 -11026519.74562769 Nb 0.13362859 4.32702941 4.71258115 -52191109.62848336 47450437.60136212 11205054.08174920 Nb 2.95544819 3.28730947 3.07400964 27413796.22519315 -28855241.54754126 -3955661.89335776 Nb 4.69381348 4.19808038 2.92150493 6478.97059037 15013.03794116 20362.84045132 Nb 4.04327933 3.16032383 4.37960154 544088.41235573 -68012.06867423 648045.37445224 Nb 2.70645199 4.42872009 4.53654129 106345602.77356654 2954455.46190044 156876381.80105171