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=36417.94145417558 stress="-0.3298948758745515 0.11865788951562048 -0.15401198838402583 0.11865788951562048 -0.5486785881139922 0.1005861509118876 -0.15401198838402583 0.1005861509118876 -0.4204957977246047" pbc="F F F" Mn 34.85854740 35.02715292 34.84000631 -296.12232506 -191.27282847 -271.96994900 Mn 36.09352389 35.82526840 35.97480766 271.73804008 200.64750007 212.93611219 Mn 38.17362927 36.75496688 35.07954674 -8.84513291 11.07537763 -10.98367337 Mn 39.08823346 38.25714351 36.74785527 -36589.07400201 48121.35176199 -82315.99990507 Mn 36.99463501 35.06293550 37.75586230 16.65519655 -31.06596254 46.65327253 Mn 38.70218324 36.53368225 38.45234139 -1949.19467875 -2784.69493663 1702.24328008 Mn 35.14719331 37.38106523 37.42732752 -5.05425734 11.12895172 11.37994659 Mn 35.85030665 39.01618775 39.61423660 1400.08677843 -1820.37214610 -20.38347183 Mn 39.68588397 35.08471436 35.62103673 9.18029156 -12.94004291 4.79784076 Mn 41.62065488 36.69456674 36.31188308 -292.48941059 180.13292632 167.77103315 Mn 42.85455281 37.30436653 34.99923096 -57.38141613 -180.70430943 -425.35075156 Mn 43.97979022 38.50735311 35.86194919 264.56353387 283.96474027 205.10671338 Mn 42.15404428 34.89115420 36.65610288 84.56061914 -282.25349326 54.91175030 Mn 43.48945061 36.58308898 38.60434928 64.45608001 -26.58662883 -71.93983380 Mn 39.52947385 37.67706283 37.73989294 38621.79566139 -45353.21051550 80584.37802756 Mn 41.88696177 38.53975611 38.04482925 -271.92703854 -5061.49140576 3149.57811709 Mn 34.66709664 40.37829567 34.64634273 -2.93402795 -1.83486626 -2.04516983 Mn 36.53106820 41.30370306 36.03859679 -128.36337097 125.37512433 -64.49957618 Mn 38.11166658 42.39867628 35.01532997 -205.08769519 -391.26423573 -316.98254248 Mn 38.89199192 43.74097402 35.97598379 94.33815672 492.86587624 205.12836439 Mn 37.50452838 39.84670461 36.93894669 78.24028404 -128.53901476 92.88103084 Mn 38.36300796 41.74315873 38.53813894 127.14199246 -141.63547386 -127.97144252 Mn 34.83415601 42.75721879 38.15870068 -7.25749159 -6.89417106 -5.10648433 Mn 36.58342142 43.95883549 39.24001314 -32221.88562572 45903.13141757 -17469.81036831 Mn 40.06015746 40.03969406 35.22875365 -22.35355558 -32.35274640 -26.31496943 Mn 41.07572501 41.59136745 36.36027737 1456.96099217 -3155.45976013 -1267.38891804 Mn 42.38942937 42.78766920 35.48910214 107.87744140 95.96238717 -107.43219886 Mn 43.75540067 43.82299556 36.90889365 19.89453555 14.78878966 22.85331836 Mn 41.95687314 39.83705467 37.23866819 295.71725830 5023.52399113 -3126.21185922 Mn 43.76620442 41.30844956 39.05947375 23693.20863346 -46481.20913739 -14301.30466962 Mn 40.40825677 42.90929717 36.93120705 -1488.15096479 2909.58835039 983.09112757 Mn 40.58477790 43.41295866 38.69745529 47.12245327 131.34681422 466.72126073 Mn 34.99270116 35.06655703 40.35609835 -85.97769433 -109.66265620 -41.41664592 Mn 36.18456631 36.58716358 40.92539402 -5133.03200005 -998.75506957 7727.96006429 Mn 37.00259064 36.76670925 39.70839759 5148.85431602 1148.08198233 -7694.82486071 Mn 39.37748761 38.57351458 41.05749494 -23.70747902 -8.63681121 -20.71821489 Mn 37.28179978 35.22759518 42.13153763 35.64856090 -43.25407256 37.91357714 Mn 38.82017617 36.17652161 44.15609089 -5.42245142 -3.43104441 6.12587111 Mn 34.60429675 37.88694556 41.95128720 -17.29153418 11.45335583 6.10983014 Mn 36.41760522 38.66745632 43.51368614 1.53027133 -0.68548663 2.73504773 Mn 40.67991356 35.13582108 40.60813432 -69.52796932 -192.89493508 -91.53174363 Mn 41.26548962 36.81466090 41.41886254 1382.19707144 -1464.27226790 -870.79692573 Mn 42.15581065 37.11363719 40.09453931 1415.15540515 519.16896938 -2133.54769254 Mn 43.67114584 38.83867576 40.88065748 3.25066148 6.05757541 2.16461572 Mn 42.75608581 35.16747475 42.56597752 -31448.59975040 -36873.38246086 -21337.72738149 Mn 43.52494731 36.06886880 43.08765320 31449.03543718 36872.57417716 21338.05514837 Mn 40.26080762 37.22606733 42.54714294 -4320.26082094 114.89912401 2161.38563971 Mn 41.47548294 38.02251390 43.33999763 1543.81587368 1023.73115557 1024.58580616 Mn 34.84946286 40.31975564 39.62885242 -1400.40325175 1823.54624980 18.84170139 Mn 36.09543662 41.31445819 41.68519139 77.29246026 -144.74454020 -28.91350992 Mn 37.28806291 42.95539443 39.62206678 32103.87442627 -45756.64902070 17603.79906560 Mn 39.51680394 43.18422169 41.19145043 -126.73779278 493.39118771 -877.46481847 Mn 38.15118296 40.13716540 42.36909583 -64.49641503 -142.76798364 -125.33329700 Mn 38.77689668 41.53692474 43.59479570 -3561.80273987 -2862.05703716 3513.00580399 Mn 35.16024853 43.04146369 42.01603486 -93.19372667 144.53089985 4.89444092 Mn 36.35405375 43.32393674 43.91924410 14.84743225 2.21944161 21.21276296 Mn 40.14329879 40.39730290 40.03646758 -13051.48923442 -7041.59438264 -6877.53364340 Mn 41.27395480 41.00919944 40.63028129 10776.26876341 8588.76217756 1702.03749152 Mn 43.20010433 42.41890795 39.40115023 -23707.25516816 46470.13921630 14264.12308586 Mn 43.81271183 42.98593235 41.44201647 11.97802200 16.31454156 27.91864666 Mn 41.87308318 40.61080905 41.98233579 2211.11741597 -1564.63139213 5095.00973310 Mn 43.29494003 41.46100146 43.20200549 71.24712658 37.48015420 71.64439315 Mn 39.73487459 42.33200182 42.70132703 3755.50275851 2515.11011061 -2507.40374952 Mn 41.64720415 43.90934279 43.92231633 0.16507063 -1.14349165 -1.04565438