64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=393.676266708286 stress="-2049.0950355913637 -261.53303064732177 -452.2257046941477 -261.53303064732177 -1972.1559401856764 -502.00772916325286 -452.2257046941477 -502.00772916325286 -1948.5231917616718" pbc="F F F" Cd 0.18135523 0.22083760 0.16718586 -113.46109519 -76.76030896 -70.13766944 Cd 1.34070966 1.00719783 0.88352852 14.57404973 68.79829035 42.13080382 Cd 2.33987816 2.51658777 -0.00835595 28.45137406 42.21125971 -23.20700660 Cd 4.26224238 3.86005647 1.26155593 -28.20523607 -72.52127369 89.44970324 Cd 2.74047935 0.37633463 1.91689046 71.73794451 -32.42610487 52.37902195 Cd 4.06471928 1.24926458 3.82189943 -140.52614588 47.56538271 -44.76227548 Cd 0.24281132 2.63514962 2.67538800 -16.58929410 -11.45272939 -14.83706328 Cd 1.70239820 3.58825563 3.92231423 -18.46983792 99.50859562 -69.30019907 Cd 5.41265278 0.18363838 -0.12469672 -33.69107227 -83.05971577 -102.68759331 Cd 5.82772538 1.22837482 1.16429809 48.25205250 58.82250339 30.42353848 Cd 7.81405160 2.78435500 0.48616346 -92.35990789 -90.43562821 -84.37074793 Cd 8.69771670 3.66051063 1.31418477 106.75014320 74.08953086 61.14438339 Cd 7.74914086 -0.42007688 2.21549094 -4.86968042 -5.07085273 -5.14667885 Cd 8.85946515 1.07461244 3.54989673 3.98849121 5.89679381 4.63112107 Cd 5.46826160 1.85538891 2.93348244 76.99051705 60.14245084 6.62943422 Cd 6.04459957 3.45384109 4.51803195 -82.78296087 2.59240247 -40.55940766 Cd -0.19063501 4.13012446 -0.30602372 0.17249199 -0.41434219 0.09506667 Cd 0.81691485 6.13664823 0.96238529 -80.19714725 -63.43031262 41.52204276 Cd 2.15910470 7.01567701 0.19823237 63.50540204 24.67515209 -69.22809477 Cd 3.29928231 8.48142533 1.11026909 3.76837874 48.65020497 6.24269079 Cd 3.07883151 5.62078958 2.87493366 -60.30438864 -64.81904285 -81.54414563 Cd 3.95055288 6.54714913 4.10304818 111.28903622 22.32546237 43.79305423 Cd -0.35096170 7.15778257 2.62092295 -5.84040582 5.70890135 9.66822936 Cd 1.26882052 8.77097969 4.03185564 -57.38276345 53.74300715 -29.69623708 Cd 4.67423500 4.95468882 -0.07352102 4.84751277 57.57653306 -103.44948163 Cd 6.17162521 5.96233753 1.03156831 17.74766934 -6.59076927 16.75770111 Cd 7.57895218 7.55397972 0.40674937 -54.23166631 -84.98224169 -35.28044694 Cd 8.53017817 8.96562791 0.84696809 65.87069129 97.84740892 31.10975289 Cd 7.65199409 4.66068129 2.85760404 -35.48156307 -6.69334198 14.05749595 Cd 8.83166291 6.22500150 3.62395801 16.79684364 21.97740146 10.60653739 Cd 4.71963622 7.30539633 2.10320685 18.94616079 -5.07539011 8.73018307 Cd 6.19151616 8.35433959 3.95438499 -71.82336566 34.95208320 -65.57314424 Cd 0.07550802 -0.07989989 5.20988817 -68.20141618 -87.57445523 -69.02863549 Cd 0.98334514 1.08168652 6.11354409 98.41618153 51.47327176 36.02554879 Cd 2.00203356 2.88688112 4.58824509 39.67257847 -88.05280955 84.25583284 Cd 3.35112862 4.04785791 6.56841281 57.67819712 -62.66218812 -99.38289707 Cd 2.47450374 -0.07860629 7.13921942 6.64313730 -61.94702868 -31.46996957 Cd 2.93074943 1.27048984 8.49380690 14.29089342 46.15360397 45.40211342 Cd -0.28579278 2.46223869 6.54672466 -49.33950887 55.22277961 17.04287246 Cd 1.23718795 4.22104951 9.17401579 -1.16770461 -0.41746284 0.83701464 Cd 4.60694090 0.24211558 5.06343399 46.91092703 -84.72934962 106.86398918 Cd 6.37996245 1.69332522 6.54863537 32.41919275 -30.22325608 -30.58871723 Cd 7.59929664 2.76987678 4.99182058 104.51986408 -48.35758249 8.92238904 Cd 8.80165555 4.06743001 6.36944526 47.93222376 -12.93157174 -62.82120675 Cd 7.37647937 -0.47961215 8.28532898 -36.99177421 -70.36718026 -16.54027829 Cd 8.23288206 1.17903594 8.66638262 36.10844255 71.76583990 15.79927013 Cd 5.05534914 2.40095341 7.83401109 -46.91922277 18.27269185 35.09231035 Cd 6.34411349 3.94466755 9.03301330 -35.93653656 -10.04400719 30.15259233 Cd -0.38417297 4.67626749 4.99077071 0.17574036 0.46968887 0.39567641 Cd 1.49584546 6.78082631 6.85189256 40.21692101 -17.68813686 -14.73202580 Cd 2.55800575 7.55517182 4.68842517 -31.72067013 -9.98006374 44.28771095 Cd 3.49120044 8.68450067 6.32066555 -16.24411643 32.85104990 4.53667689 Cd 2.89927955 4.54262288 7.34963249 -54.97718461 62.51890569 95.13771453 Cd 3.56765505 6.43081301 9.11078137 0.34790638 -0.37315201 -0.44603847 Cd -0.34016652 7.44067431 7.43124647 -47.58523351 8.81333690 5.65262639 Cd 1.31754574 8.42519752 8.65284988 8.54882653 7.31379336 8.45719138 Cd 5.30281345 5.23515741 5.06399505 -64.67295800 -14.52583822 -73.17666488 Cd 6.17293429 5.78900512 6.44919299 85.14765497 15.81172793 96.16779472 Cd 7.44635628 7.72405928 5.11196296 34.45179706 -78.16744566 44.77499437 Cd 8.65208399 9.12458466 5.88213332 34.78215830 40.45449969 22.56296494 Cd 7.95906900 4.58604388 7.96914856 -17.50611762 -5.73408744 16.83162697 Cd 8.58247923 6.19774168 8.99461283 17.21493037 45.65931636 28.45133635 Cd 5.01227964 7.45970594 7.05991366 6.77068259 2.92967853 20.23571716 Cd 6.79889878 8.49604287 8.43203332 1.54195968 0.71412143 0.70990083