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=405.1745664504258 stress="-0.006406731697139951 -0.00041675922317551013 -0.0014680598227489663 -0.00041675922317551013 -0.00604493950785514 -0.0007601351454852427 -0.0014680598227489663 -0.0007601351454852427 -0.00676379123689425" pbc="F F F" Cd 34.77012018 35.19950506 34.72364735 -20.95956914 -10.78108888 -23.31885361 Cd 36.11898407 35.89836256 36.21678159 29.98848885 -31.51761572 -33.97951901 Cd 37.35246372 37.13331684 34.84478146 -15.00757700 -21.44758573 -36.27254984 Cd 38.47660143 38.53350693 35.83204316 -20.25641077 6.18359993 39.21967420 Cd 37.39002783 34.62535749 37.40197422 11.28833300 -40.44322397 0.55078930 Cd 37.88186508 36.29676508 38.59352187 10.61466015 17.10057369 10.94359022 Cd 35.23534249 37.02604861 37.46195168 -38.96526460 47.35984025 52.95917407 Cd 36.16643622 38.82806262 38.82105454 -15.75480157 -27.08203050 -117.43425039 Cd 40.00839750 34.99348588 34.86909926 -5.06996942 -3.38382465 -3.13350211 Cd 41.60911760 36.27726272 36.03047871 -45.42475645 -61.91414690 95.18966194 Cd 42.37956170 37.12458691 34.70567456 50.09051403 56.05633897 -98.26231909 Cd 43.60330750 38.47841942 36.17094571 3.79989174 4.69702935 5.39050450 Cd 42.93167485 34.80014156 37.92808828 -19.19278500 -87.67339990 -37.96329715 Cd 43.27624372 36.46308230 38.63953758 109.71478519 16.53829733 -62.24660499 Cd 40.30562440 37.89444442 37.06094126 0.63874805 1.88278541 2.09104789 Cd 41.00042115 38.25322677 39.25538428 -78.18200003 44.19211825 -27.37914131 Cd 35.49028470 40.34013519 35.03091681 -75.01146988 -107.12226532 -79.15802196 Cd 36.18145323 41.31152306 35.76128550 -22.64596691 5.16929288 126.44048473 Cd 37.30654629 42.44298417 35.24962926 100.60437674 100.16157226 -44.07483747 Cd 38.90607387 44.20590173 36.30456606 -54.92415336 91.07655406 -51.91127288 Cd 37.62793321 39.81339034 37.99163138 -32.06093760 -86.71985671 -65.09772558 Cd 38.40999668 40.93522116 38.30556638 84.73120252 121.98597350 29.32637768 Cd 34.93746173 42.98532094 37.17818715 -68.53950171 -37.58515227 -63.08390381 Cd 36.18870077 43.65941661 38.33068643 39.11321791 79.76367233 17.23744450 Cd 39.96288569 39.70735989 35.10467973 22.39239039 15.25078646 -39.46022176 Cd 41.09867470 40.80181361 36.57025101 -78.25014399 55.54070685 -71.20769204 Cd 42.77862907 42.74993016 34.59152891 -26.84798541 -17.42899530 -29.92775542 Cd 44.02539362 43.55484995 36.04743610 25.73102457 16.45518325 30.96492190 Cd 42.26222898 40.30601395 37.71531894 64.44320657 -45.01732937 62.07386569 Cd 43.66769245 40.53487528 39.21036999 34.25132168 -3.29089778 27.07098455 Cd 39.71177767 42.83933308 37.08447570 15.00321373 -140.50719108 -33.46084564 Cd 40.36494275 43.65003267 38.56715759 37.79861378 46.34169774 86.91673567 Cd 34.64956136 35.49685027 40.12455400 -56.95705991 -34.76679704 -59.27611867 Cd 35.85017965 36.24303602 41.34877031 113.86146909 -85.05790538 -17.00715157 Cd 37.04590751 37.89525894 40.04506684 21.65710621 -73.97207088 52.42144297 Cd 38.38682156 38.72761206 41.32330834 33.74144095 2.96428942 -5.11444853 Cd 37.72885474 34.82212400 42.40450671 0.34217526 0.02695844 -0.51302610 Cd 39.15469436 36.44635499 44.01938099 -2.96276910 -9.59130657 6.54715687 Cd 35.35564770 37.26883187 42.01530835 -56.36839390 120.13965715 76.07715109 Cd 36.90234503 38.83801348 43.58746936 -3.45645228 -20.12940890 20.31484312 Cd 40.13931137 34.79875222 40.23289897 -49.32495859 -60.48598958 -40.25320840 Cd 41.18629371 36.10688597 41.07845499 -33.53993186 94.20294246 -38.63179283 Cd 42.34897734 37.19289684 39.64796191 2.94101304 0.94150288 83.42014341 Cd 43.40994348 38.24777355 41.12544559 19.24205875 11.83076147 17.88420185 Cd 42.05670149 35.45683445 42.43224913 -12.90122546 -88.70646786 39.91810873 Cd 43.37318784 36.16025204 43.45835245 76.54935429 42.12372751 59.62438116 Cd 39.75440220 38.21712283 42.79968003 21.85153919 -0.78363259 13.17790597 Cd 41.53078020 38.98297707 44.16177341 -24.73240004 -32.71565615 108.19263315 Cd 34.90019835 39.58038615 39.74235299 -92.18648927 55.42070724 68.60048424 Cd 35.91847990 41.78618749 41.50108204 66.82873788 0.49409746 -76.90746535 Cd 37.04922158 42.46135882 39.60296040 35.34413627 -38.77975477 38.30287972 Cd 39.10239068 43.76240128 41.20234021 -58.02006386 56.56737634 -80.45429839 Cd 37.14294486 40.27923994 42.04339417 15.64422839 5.59939843 5.01125362 Cd 39.41050422 40.97916610 44.15178762 -0.15033450 -0.08034549 -0.38997129 Cd 34.54471943 42.27293335 42.42458714 -105.06235774 36.98681474 70.53234174 Cd 36.83713021 43.34027384 44.07190370 0.38099075 -0.31530151 -0.57070032 Cd 40.17836359 40.11586036 39.72649431 -21.19023271 10.46563958 -8.63693415 Cd 40.95603072 41.50406269 41.14327316 -39.48111316 -39.59533541 41.72767018 Cd 42.39076477 42.22175198 40.16230082 47.62267010 27.01820590 -51.33072949 Cd 43.71278053 43.63562175 41.21886544 11.76010958 12.89371540 10.09962247 Cd 41.99449913 39.51661553 42.52469746 20.15272146 34.98731305 -106.52384145 Cd 43.62058306 40.66346176 43.79371340 4.25094264 3.37606264 3.25926411 Cd 40.00453629 42.86552680 42.45333875 15.30063637 -52.39352799 72.57990580 Cd 41.24232312 43.73961088 43.87882103 25.75175609 17.49291159 28.91535359