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=26980.676840788543 stress="-106180.4062301811 825.497231142559 -11157.835194032084 825.497231142559 -130250.40045420054 -19556.535170717078 -11157.835194032084 -19556.535170717078 -127221.83359670153" pbc="F F F" Tc -0.03670928 -0.15958835 -0.01696108 -418.35855975 -294.17258692 -409.48419286 Tc 1.53633972 1.55741887 0.06350467 -780.46465118 -3598.06892587 -5331.04190466 Tc 1.51705899 0.06313592 1.57781565 4690.08104361 -7600.27725985 -8524.83239580 Tc 0.17270974 1.41401966 1.74651435 -12105.78643449 888.27211440 -9734.72884085 Tc 3.22884018 -0.12934822 -0.00958291 -140.02177963 -507.92734038 -396.14922559 Tc 4.60866500 1.65375929 -0.14024153 801.95192203 74.80906407 -748.95879836 Tc 4.79145621 0.11937912 1.66801937 4565.07504286 -11387.19110389 -11125.73522091 Tc 3.29784175 1.65686790 1.57950185 -1279.17808985 -2674.52394244 -6509.68916862 Tc -0.25195870 2.90814749 0.02361791 -1194.38532515 -1223.19537663 -1053.52226133 Tc 1.26881855 4.32749284 -0.14550676 -515.09584021 1490.66757678 -1224.52581689 Tc 1.61553505 2.63173175 1.57681714 -2051.91097670 6550.22901067 -2245.34020671 Tc -0.20139561 4.35590157 1.48181963 -6712.66205328 971.55371660 -5239.45979835 Tc 2.86015086 3.06932889 0.15455393 2437.30411721 -2857.41593655 -5764.57373034 Tc 4.53136845 4.28689105 -0.06354755 1292.65719255 1399.30729010 -2072.68421527 Tc 4.78056002 3.28749137 1.66529024 1840.85604222 -2267.87584393 -1485.47360069 Tc 2.87558637 4.56854813 1.23428465 -36.92746795 5022.14920628 3731.64089741 Tc 0.03894520 -0.18727252 2.71351747 -4852.44194077 -5487.67528113 4010.96819919 Tc 1.50271386 1.25561409 2.92342444 7651.44230483 1486.97288763 9317.36464712 Tc 1.36504751 -0.28898934 4.45723213 913.02592712 -2160.95568074 986.44306126 Tc 0.18083228 1.33072348 4.30763057 -5787.40711882 -2115.10065220 2853.26706748 Tc 3.20582919 0.01007159 2.72911906 -3728.81600006 -3419.25284484 1139.12451601 Tc 4.66927990 1.41882140 2.78159819 4644.21858623 11097.98621900 12744.19619756 Tc 4.58985517 -0.25687019 4.09417261 1788.04246430 -1065.60326655 2222.93745481 Tc 2.85662574 1.32056379 4.33455879 2338.29594710 -380.58949922 2834.38707697 Tc 0.28900225 2.83042374 2.95961715 -6896.48347946 -1366.84713908 4373.38179042 Tc 1.06666507 4.43038183 2.73239061 10203.21522764 8377.46823181 1751.00292355 Tc 1.39520495 2.71771488 4.76305936 6087.92626796 -4477.49726655 3269.97673380 Tc 0.52717502 4.25596321 4.54829838 -5994.60941276 7795.42222574 2973.73981455 Tc 2.88099009 2.91606465 2.90375950 1409.76667865 3709.84914305 5208.78949036 Tc 4.34663707 4.47492747 3.08956373 375.12818356 5994.12106139 -446.29374172 Tc 4.35671731 3.05327505 4.31810468 1367.41816240 -2986.29212187 3973.10499737 Tc 2.65608797 4.53283084 4.36930285 88.14401977 1011.65432110 922.16825111