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=1225.0379405139524 stress="-0.006143858972061986 0.0008548765313871742 0.00035408795142918446 0.0008548765313871742 -0.007314091657959784 -0.0013782272656851034 0.00035408795142918446 -0.0013782272656851034 -0.008050461935550682" pbc="F F F" Hg 35.22274362 35.30026631 35.10115337 -34.33264830 -13.15081362 -35.04320596 Hg 36.45440692 35.66534568 36.39690793 -0.52119098 17.25821074 3.82034484 Hg 37.61855680 37.19274254 35.12344815 0.99348498 0.08076308 -23.24912601 Hg 38.47365779 38.39956216 36.69475194 9.69237152 9.92552241 -37.91337813 Hg 37.51619231 34.78017817 37.58048192 18.84949009 -38.35994928 22.11651792 Hg 38.46607199 36.56627246 38.80966510 656.92624242 -695.99681928 -1125.42180331 Hg 35.35760404 37.64118769 37.25439459 -22.35538631 -9.68054170 -4.65334335 Hg 36.62764181 38.84901057 38.52285543 -253.74372591 -164.76365532 82.99255665 Hg 39.81781320 34.90807712 34.82077900 -1.01088922 -0.64195222 -0.74358682 Hg 41.91237275 36.16532531 36.40716153 -19.85758405 11.01361199 -9.18196317 Hg 42.55476061 37.62096928 35.09568478 4.90396339 7.90273493 -23.58502184 Hg 43.97135030 38.62584809 36.73221002 14.20012469 4.11569932 3.18222601 Hg 42.53870553 34.67497843 37.37217336 10.60120350 -34.44776630 17.13618564 Hg 43.85360871 36.50957272 38.58876906 10.91818272 -3.36580172 0.06295047 Hg 39.63921942 37.00121598 37.52048984 54.09073209 -9.74940957 -43.84124819 Hg 40.69123540 38.09439172 39.23373091 -2.80368093 3.18730589 -3.87349072 Hg 34.99386092 39.83465912 35.43471767 -30.55337604 -11.58160315 -23.77204236 Hg 36.42318767 40.42806670 36.49211558 13.48949141 27.19989144 -0.00641627 Hg 37.67558779 42.34008610 35.06546839 -2.29658455 -0.54710037 -5.80921228 Hg 39.16567906 43.84929664 36.51987678 -37.53608187 67.84040356 -52.41639541 Hg 37.66743894 39.56234205 38.26355730 186.39844079 135.01831410 -23.38690984 Hg 38.86944526 40.64720716 37.93639045 57.12094211 61.07520720 -7.53067486 Hg 35.11838660 42.63755727 37.67159427 -30.37807492 -21.52955325 -23.67326520 Hg 36.28078305 43.80534914 38.58070810 4.68475016 60.31732184 -6.79906918 Hg 40.74597479 39.72767424 35.51924930 -37.63039582 -77.30397959 -101.55380873 Hg 41.08322016 40.84405186 36.53733577 9.63165099 132.15775998 38.00897409 Hg 43.02009391 42.89560287 34.99219485 -9.53121478 -6.12800216 -20.46897662 Hg 43.84718980 43.40446689 36.79415055 8.90057982 17.12159508 7.08425770 Hg 41.74423848 39.46093842 37.29083491 38.35657963 -49.40594707 50.62986296 Hg 44.07952669 41.99095522 38.42354933 12.63798706 -16.32179227 4.50991111 Hg 39.84963249 42.74014761 37.45895876 33.84467900 -49.98156919 50.32115548 Hg 41.59838244 43.40983348 39.02109014 -192.44670549 277.74822914 -244.46731166 Hg 35.16929824 34.75801993 40.00425879 -2.44462564 -4.20609998 -3.53007193 Hg 36.15284988 36.55281345 41.48515741 36.91261263 -68.87693084 -69.76131349 Hg 38.03430196 36.98888196 39.53900512 -703.29007512 671.57511925 1183.87088613 Hg 38.94919299 38.69635628 41.47405928 -41.04313037 89.40179200 -77.66707576 Hg 37.84321351 34.90208399 42.61625952 1.01918417 -16.99025068 -0.71791877 Hg 37.98657921 37.08392490 43.33604388 -2.88276837 -24.16821981 33.00508377 Hg 35.46914856 37.58683335 42.44774168 -71.15836343 57.93879061 44.31384305 Hg 36.62822558 38.55686505 43.75842636 -6.53662243 29.23571979 34.22339857 Hg 39.62004302 34.86209991 40.06298030 3.48584425 -19.71541464 2.47931025 Hg 40.98960379 36.01315819 41.53446077 11.34398619 -5.70686997 2.14155260 Hg 42.55773398 37.87054360 39.96545013 -6.54227263 -44.00296681 -20.47379745 Hg 43.28578513 39.07894161 40.95214372 36.69124209 36.01284093 25.82454469 Hg 43.12467763 34.60479866 42.67011641 -0.49745433 -39.45796561 -19.95399760 Hg 43.23135151 36.21260007 43.56131778 3.94330862 38.37377906 22.52570293 Hg 39.51725030 37.56538150 42.29482210 76.35629009 -82.24740439 60.17117008 Hg 41.60074753 39.11011694 43.91611730 -10.06330357 -14.15947693 15.72890045 Hg 34.68371804 40.11845440 39.37250639 -10.04620054 3.18642946 4.39316569 Hg 36.39894022 41.33064394 41.43771183 -16.70412720 -5.13348288 -6.12666261 Hg 36.98742598 42.42562162 39.54612572 9.64926567 -33.64766659 9.68110971 Hg 38.72669264 42.98497849 40.57365834 8.57232556 17.24742456 1.27330368 Hg 37.81545861 40.19907719 42.45625433 -0.17118156 1.93321379 10.47607509 Hg 38.57253947 42.08662654 43.39269776 -6.13571684 7.17315974 18.22551866 Hg 34.98196173 42.96633782 42.29247457 -25.72349704 0.29924091 -24.36971732 Hg 36.01534890 43.34611002 43.85302658 17.41835485 9.29579500 30.81086263 Hg 40.20207028 40.22753747 40.07186071 -13.40374427 -23.25530972 -29.19924349 Hg 40.82750744 41.47185425 41.26239893 46.22174436 -115.80976255 -102.17140477 Hg 42.16958417 42.61824608 39.74564588 193.98967402 -261.66195369 236.83123144 Hg 44.00361631 43.30872476 41.21488019 8.77209391 7.03631589 2.84304326 Hg 42.51014059 40.36955707 42.54791240 -10.25999163 -19.90806474 -10.54829901 Hg 43.52478861 41.78424632 43.13847514 27.59793488 31.15265979 20.81691443 Hg 40.56769032 42.46399076 42.21764102 -33.73869805 131.53975377 122.72945322 Hg 40.92161442 43.77714770 43.76257230 7.42455456 18.53949062 19.67973894