64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=70083.881810888 stress="-1.1918688065970426 0.09026002292739177 -0.32808887548387694 0.09026002292739177 -0.6268478431196208 -0.16745889840937395 -0.32808887548387694 -0.16745889840937395 -0.7031986191158668" pbc="F F F" Sn 35.38997049 34.67993378 34.53192095 -3.70135899 -7.95666340 -5.08592269 Sn 36.48445956 36.50147607 35.88908393 -5553.17711926 -2079.95284241 1911.70656277 Sn 37.96378755 37.05733553 35.37317780 5557.81363618 2065.52410561 -1953.16529351 Sn 39.05995024 38.91339164 36.39493563 -9590.88755285 -2471.16736138 6049.73373396 Sn 37.42971301 34.90180498 37.43303376 -1762.54754615 -2594.02925546 -3096.44961079 Sn 38.11544561 35.89863447 38.63659817 1758.21297047 2576.06919309 3108.81244088 Sn 35.03086860 37.60605990 37.41737946 -10429.00250434 -22680.93884983 -25619.83493788 Sn 35.45455437 38.52978329 38.46098412 10380.98790444 22620.78584965 25509.24654665 Sn 39.65190469 34.68263699 34.88013010 -2.43246890 3.16464533 2.89976941 Sn 41.77240316 35.89695156 36.22192624 -395.79746350 148.44405302 -274.09465047 Sn 42.66325666 37.85003274 35.41548094 -10.39410327 44.38616611 -60.04616254 Sn 44.10512605 38.47153836 37.12849664 232.35383585 -123.22915008 -37.29378109 Sn 43.19219434 35.11574849 37.39096207 -17769.24823931 -20010.31964008 -19505.02819439 Sn 43.98799085 35.98513066 38.26018121 18130.16756290 19814.14692328 19808.58263943 Sn 39.56853882 37.86331014 37.84061803 -50623.40525419 -18300.54490777 -24189.12979055 Sn 40.76849821 38.27521459 38.43536610 50763.30467600 17473.78730501 25127.53166541 Sn 34.90940790 39.93818605 35.81008887 -1487.40465500 -994.96405550 -976.36865338 Sn 36.22910263 40.81742613 36.67777499 -78107.28488488 30365.86790114 -50800.04004098 Sn 38.39176121 42.74742970 34.52214402 -0.47287409 -3.24287861 -0.75618963 Sn 39.40132835 43.09798236 36.92198774 -35104.13191589 26840.27452663 -28649.59044244 Sn 37.30811562 40.41925179 37.37972176 79532.04165553 -29404.50533493 51708.22004851 Sn 38.53131959 41.15580962 39.08068881 -17795.18568407 13165.82121842 -5624.79433668 Sn 35.31676286 43.25897777 37.84454488 -1027.83144066 -461.39866370 -546.25868088 Sn 36.85801940 43.94269497 38.66217314 1032.75862914 458.50140653 540.09343842 Sn 40.26437862 39.34262878 35.46410761 9230.36472287 3289.25962324 -7126.64724371 Sn 41.44458672 41.92665287 35.60898450 -72194.86558566 -18927.10490305 15341.90585570 Sn 42.74743276 42.26796924 35.33170861 72113.46088257 18577.12412962 -15600.91905038 Sn 43.19446230 43.88577202 36.46809657 90.66173487 335.49451971 240.85371483 Sn 42.45935386 39.59937313 37.78099216 -169.12404052 171.55947551 38.08268124 Sn 44.22404626 41.07671239 38.29623623 31.18753721 26.08496584 6.72287716 Sn 40.34381003 42.37654493 37.69137840 27667.77940377 -36797.26191828 20940.17942288 Sn 41.13354579 43.43919486 38.51519995 7331.52363463 10066.38102313 7636.51994241 Sn 35.35261927 35.22845484 39.92663342 -2.22270892 -41.91428178 -72.74563203 Sn 35.52848329 36.45767656 41.81747546 50460.87288786 -64832.32365693 -65349.90817647 Sn 37.77170006 38.13378167 40.03055269 -85.95946834 -57.84000409 -128.06860346 Sn 39.22660482 38.59742911 41.54930823 -22601.31102397 24800.59096213 -26016.02475678 Sn 37.78977902 34.96834885 42.55404080 -3369.48460390 -4256.84510926 -4023.31089091 Sn 38.61392631 36.01042778 43.53734129 3360.48552390 4253.22034839 4023.92884181 Sn 34.88409332 37.28641409 42.65307656 -50526.90668386 64786.27419370 65321.58264780 Sn 35.98888879 38.61985087 43.96188081 77.25033500 93.33241598 96.07010296 Sn 40.33444961 35.42225405 39.77222604 -15.13156115 -52.27612593 -42.17247574 Sn 41.08506531 37.08374092 41.13140933 713.50040601 -995.78209231 -826.34091855 Sn 42.26192543 38.00328343 39.88245842 628.98223786 312.73838940 -295.41338677 Sn 44.15188963 39.03900781 41.50974180 -1.72805720 -0.27787491 -0.06896795 Sn 42.39701650 35.23010244 42.25429173 2.55316773 -6.21926365 1.75583424 Sn 43.54281927 36.74869722 44.18786549 -1.81515914 3.87786883 -1.34413540 Sn 39.99881379 37.75864581 42.42431876 21767.25221441 -24268.16845575 27273.63524569 Sn 41.44334549 38.88502238 43.70471926 -291.88975322 -432.27463007 204.28282867 Sn 35.93691272 39.60768863 40.28035587 -5663.63492571 -12273.75859907 -8506.36429001 Sn 36.48116894 40.79561685 41.10978203 4752.95200881 11291.49279228 8952.53687784 Sn 37.40631183 42.28584918 40.53022347 237.98067853 325.52574198 -1658.63086565 Sn 37.87843751 43.35052651 41.94549956 331.89919380 983.38102581 1258.85274745 Sn 37.71964552 39.71289128 42.40135913 -112.13815814 10.97687395 259.89134093 Sn 38.96040127 41.03014188 43.83198946 33.26335568 32.04618570 34.60961568 Sn 34.75974843 42.48372026 42.78295976 -1720.00832519 -1646.36653132 -1106.29751457 Sn 35.92491485 43.59467942 43.52850032 1716.80712681 1643.46784854 1109.31856088 Sn 39.70754127 40.28875188 39.44759431 17935.20539603 -13213.41161287 5602.85034646 Sn 40.91022100 41.57786322 41.88290308 146.82600513 -291.69812512 -150.56262708 Sn 42.26591085 42.11412681 39.77713630 85.60234562 -122.26251109 89.33668674 Sn 43.51626727 43.81465700 41.11126492 4.78917919 7.85772948 9.08418763 Sn 42.57795102 40.42485259 43.22278794 298.96034375 378.51575685 -193.48306421 Sn 43.78618617 42.00631109 44.15899103 68.29004557 94.10484673 52.84445727 Sn 39.96619497 43.21706652 42.66020880 -155.44335629 233.19567430 68.80930429 Sn 41.31528761 44.02717261 44.15682702 98.47723844 54.75961370 105.75832157