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=16402677.832454724 stress="-3536.2178167534576 1541.8284507639082 -2390.1859004023513 1541.8284507639082 -3508.8181497909823 -1090.6288354129229 -2390.1859004023513 -1090.6288354129229 -4596.916776991732" free_energy=16402677.832454724 pbc="F F F" Nb 20.89463399 20.98804805 21.22764761 -838085.79904627 -84505.58720650 -867632.37234613 Nb 22.98640856 22.41110488 20.90058486 -27119907.30010807 59823819.84305192 -18839073.96982259 Nb 22.13745177 20.96746190 22.37986355 824687.82080250 -15677.96086969 798862.22898830 Nb 20.79432016 22.32650892 22.36625133 -7981.63864938 99098.04262274 83788.70515923 Nb 23.61074450 21.03388015 21.33428437 27141106.24223792 -59823071.48566858 18823728.87764435 Nb 25.67141161 22.50606044 20.94280967 16.24047352 -0.97254046 -19.77535218 Nb 25.28802619 21.22277084 22.68584377 -28284400.05658073 -68777238.53101020 -71226602.93853718 Nb 24.26540736 22.50103927 22.43076769 -2555680.25804963 3194830.45223970 -637316.21682078 Nb 21.11386105 24.19026361 21.02633159 772680.52440657 -2712620.35303428 -3042076.92240335 Nb 22.83655829 25.23857576 21.28611486 -7972636.63943484 5326186.99466110 -70947.01365545 Nb 22.54592252 23.75949709 22.48946922 -46.34804976 2560.33687812 -2488.94079724 Nb 20.80528089 25.27354935 22.24118378 -774644.52255729 2716186.58505248 3035620.58206684 Nb 24.19178619 24.32971334 21.29140871 -5756177.01606498 -14651755.20237651 -32256281.20090319 Nb 25.37865559 25.49799353 20.99012288 877881.81418181 864221.94530816 -222967.17294252 Nb 25.28091226 24.20869436 22.46603997 25976566.75494839 -9876772.91121384 14818863.70672961 Nb 23.99545237 25.18005148 22.64547000 -13093374.95565822 19174118.48133792 16349783.96471070 Nb 20.83038151 20.84104850 24.08607961 -17.13256149 -17.29215243 -7.80364808 Nb 22.62152625 22.33956097 23.69483433 -743.07560945 -2147.13114986 2409.72783134 Nb 22.51013567 20.88951121 25.27021214 -129.92525163 -45.98879967 112.82204555 Nb 20.88435123 22.35921216 25.45340946 -7.96133098 11.78745364 12.92937169 Nb 24.05523739 21.16106339 24.09658288 -2647.02344426 -1267.43062886 541.74872696 Nb 25.75978669 22.22592512 23.78504734 30853258.33830541 65609129.51855149 71809464.89698267 Nb 25.42602315 21.43735056 25.34909907 -9328.06674760 -26124.64442032 54243.61247859 Nb 23.71476644 22.51955688 25.52652120 -14.39507763 45.26323339 50.77170198 Nb 21.27337512 24.40952788 23.80231043 953.81331117 -3860.00314646 6267.32908760 Nb 22.84095634 25.40479032 24.25977030 -134248676.74111533 25292974.65867563 -152386000.03499371 Nb 22.28220450 24.28278197 25.46599038 52098490.55345923 -47624730.89983489 -11026519.74562724 Nb 21.13362859 25.32702941 25.71258115 -52191109.62848203 47450437.60136110 11205054.08174877 Nb 23.95544819 24.28730947 24.07400964 27413796.22519441 -28855241.54754253 -3955661.89335815 Nb 25.69381348 25.19808038 23.92150493 6478.97059037 15013.03794116 20362.84045131 Nb 25.04327933 24.16032383 25.37960154 544088.41235591 -68012.06867425 648045.37445245 Nb 23.70645199 25.42872009 25.53654129 106345602.77355233 2954455.46190079 156876381.80102986