32 Lattice="29.60776710510254 0.0 0.0 0.0 29.60776710510254 0.0 0.0 0.0 29.60776710510254" Properties=species:S:1:pos:R:3:forces:R:3 energy=29888.110978365163 stress="-4.411121021837061 -0.5340447784504347 0.49538900593171137 -0.5340447784504347 -4.87351133141222 0.07871408823133481 0.49538900593171137 0.07871408823133481 -4.56203654167728" free_energy=29888.110978365163 pbc="F F F" Ne 14.71146429 14.91817035 14.86571981 -2781.18136758 -9233.53753977 -11837.68195226 Ne 15.95750141 15.50049686 14.91811974 -24223.42264872 15723.66039792 -3200.62506701 Ne 15.49564186 14.71509447 15.76702925 3285.10865075 -4245.80681728 2620.85976215 Ne 14.78624176 15.62981917 15.63563396 -1660.96061412 12258.52850994 9909.12683898 Ne 16.81433200 15.00456737 14.98105508 25174.71037203 -14912.24471342 1682.26631030 Ne 18.01745655 15.70327101 14.69249033 279.12352049 129.76476571 -205.39132242 Ne 17.79949947 14.98952592 16.01617361 -4966.13875231 -9362.83518015 -10625.56241968 Ne 17.07174748 16.22968729 16.10286556 -22061.61587711 -19769.83306922 7607.21179769 Ne 14.90770271 17.15763316 14.85679691 12516.88161819 -34927.97326533 -54779.76237948 Ne 15.91554707 17.89731942 14.93138548 354.88961782 1613.53281084 -1395.89263463 Ne 15.76550219 16.77718984 15.64532882 1205.62670821 -1242.37834891 1566.43055518 Ne 14.69420435 17.65207850 15.61880111 -15528.50235104 34953.01132189 53476.86139006 Ne 17.07854588 17.06785338 15.04672415 -16135.81898283 -10054.94040783 -9898.77925886 Ne 17.86498414 17.75530537 15.06501499 11839.50286423 12058.36627204 -1820.96519600 Ne 17.79357119 16.85234926 15.83300378 28065.39468770 14647.50744448 50.40918837 Ne 16.74740814 17.82745763 15.87265046 -337.02572198 2625.87941476 3286.00714728 Ne 14.70785371 14.70004618 16.86619125 -3128.17905998 -1324.79908948 -2598.90288778 Ne 15.77666311 15.49518851 17.09593507 22261.07580256 59907.85243338 -52998.56053885 Ne 15.53499455 14.83347468 17.68251627 -17094.29540356 -61091.64402731 54868.44307245 Ne 14.63878015 15.59211330 17.81844755 -2785.66523302 2483.20712172 1255.49954122 Ne 16.95969397 14.67924092 16.99909999 -754.37455286 -702.27741989 -205.71243034 Ne 18.19263322 15.63290808 16.73959684 6111.15860789 9444.35298260 9967.91519130 Ne 17.90097970 14.99048245 17.86035004 1580.82555019 -1025.49604269 959.98298447 Ne 16.90043745 15.72940626 17.97308299 -1009.90660972 1034.51398721 483.53019993 Ne 14.74944920 16.94437096 16.95428064 -539.33907650 -754.85627168 -803.16226669 Ne 15.86300563 17.90298436 16.96280586 227.61708921 1238.84136501 -1712.91938588 Ne 15.67980756 17.15437570 17.95038070 -6213.69998173 -23623.19602546 -72.87047386 Ne 14.91524071 17.83200216 17.89164224 -15115.82864940 13613.48296075 -54.61829033 Ne 17.06834866 17.04763030 17.06607259 -946.15991505 -673.02638571 -1557.00094293 Ne 18.09993903 17.86707790 16.85302410 650.59045201 806.06883413 -441.62198503 Ne 17.86868722 17.18056751 17.98106270 1726.63021756 -240.47088685 1912.62016664 Ne 16.58918760 17.57929707 18.06483301 20002.97903870 10646.74486859 4562.86528599