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=26980.676840788507 stress="-1.4331660488902536 0.011142117902256263 -0.1506024618566044 0.011142117902256263 -1.758049892751861 -0.26396359964794297 -0.1506024618566044 -0.26396359964794297 -1.7171719252335267" free_energy=26980.676840788507 pbc="F F F" Tc 20.96329072 20.84041165 20.98303892 -418.35855975 -294.17258692 -409.48419286 Tc 22.53633972 22.55741887 21.06350467 -780.46465118 -3598.06892587 -5331.04190466 Tc 22.51705899 21.06313592 22.57781565 4690.08104361 -7600.27725985 -8524.83239580 Tc 21.17270974 22.41401966 22.74651435 -12105.78643449 888.27211440 -9734.72884085 Tc 24.22884018 20.87065178 20.99041709 -140.02177963 -507.92734038 -396.14922559 Tc 25.60866500 22.65375929 20.85975847 801.95192203 74.80906407 -748.95879836 Tc 25.79145621 21.11937912 22.66801937 4565.07504286 -11387.19110389 -11125.73522091 Tc 24.29784175 22.65686790 22.57950185 -1279.17808985 -2674.52394244 -6509.68916862 Tc 20.74804130 23.90814749 21.02361791 -1194.38532515 -1223.19537663 -1053.52226133 Tc 22.26881855 25.32749284 20.85449324 -515.09584021 1490.66757678 -1224.52581689 Tc 22.61553505 23.63173175 22.57681714 -2051.91097670 6550.22901067 -2245.34020671 Tc 20.79860439 25.35590157 22.48181963 -6712.66205328 971.55371660 -5239.45979835 Tc 23.86015086 24.06932889 21.15455393 2437.30411721 -2857.41593655 -5764.57373034 Tc 25.53136845 25.28689105 20.93645245 1292.65719255 1399.30729010 -2072.68421527 Tc 25.78056002 24.28749137 22.66529024 1840.85604222 -2267.87584393 -1485.47360069 Tc 23.87558637 25.56854813 22.23428465 -36.92746795 5022.14920628 3731.64089741 Tc 21.03894520 20.81272748 23.71351747 -4852.44194077 -5487.67528113 4010.96819919 Tc 22.50271386 22.25561409 23.92342444 7651.44230483 1486.97288763 9317.36464712 Tc 22.36504751 20.71101066 25.45723213 913.02592712 -2160.95568074 986.44306126 Tc 21.18083228 22.33072348 25.30763057 -5787.40711882 -2115.10065220 2853.26706748 Tc 24.20582919 21.01007159 23.72911906 -3728.81600006 -3419.25284484 1139.12451601 Tc 25.66927990 22.41882140 23.78159819 4644.21858623 11097.98621900 12744.19619756 Tc 25.58985517 20.74312981 25.09417261 1788.04246430 -1065.60326655 2222.93745481 Tc 23.85662574 22.32056379 25.33455879 2338.29594710 -380.58949922 2834.38707697 Tc 21.28900225 23.83042374 23.95961715 -6896.48347946 -1366.84713908 4373.38179042 Tc 22.06666507 25.43038183 23.73239061 10203.21522764 8377.46823181 1751.00292355 Tc 22.39520495 23.71771488 25.76305936 6087.92626796 -4477.49726654 3269.97673380 Tc 21.52717502 25.25596321 25.54829838 -5994.60941276 7795.42222574 2973.73981455 Tc 23.88099009 23.91606465 23.90375950 1409.76667865 3709.84914305 5208.78949036 Tc 25.34663707 25.47492747 24.08956373 375.12818356 5994.12106139 -446.29374172 Tc 25.35671731 24.05327505 25.31810468 1367.41816240 -2986.29212187 3973.10499737 Tc 23.65608797 25.53283084 25.36930285 88.14401977 1011.65432110 922.16825111