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=454.14873402785656 stress="-0.025218608835569176 -0.010025646559395057 -0.003851426097117779 -0.010025646559395057 -0.029150055427018432 -0.007846290502102473 -0.003851426097117779 -0.007846290502102473 -0.025204406036659504" pbc="F F F" Cd 34.95090618 35.06803858 35.25685248 -33.72949273 -29.14335471 -23.47268631 Cd 36.31478365 36.22123309 36.23215238 11.48461028 46.06827605 -7.60341817 Cd 37.94719732 37.46153929 34.89742376 3.86695330 -71.10778955 -36.76538708 Cd 37.94567802 39.12796229 35.80581331 -14.80550939 42.71418149 -42.42350273 Ca 37.59805855 35.26854557 37.87908636 -241.29648229 -223.50511669 -145.87291328 Ca 39.08072186 36.59167567 38.88092645 -133.72142170 486.35622989 288.21441980 Ca 34.79383103 38.12261443 37.21200464 -59.66478391 -28.61791073 -29.10092927 Ca 36.69730735 39.22030690 38.31594767 -233.54321562 -214.31450390 -38.75339859 Cd 39.87411652 34.91284022 34.63091443 -25.81218603 -23.45609243 -25.85275481 Ca 41.16706497 36.19243362 36.04458541 -92.58134721 -513.20195145 18.18875544 Ca 42.56012935 37.06446472 34.92377410 360.82118498 214.04918963 -306.23847006 Ca 43.67726619 39.24863537 35.99500365 130.41989276 -186.25471298 -210.70862661 Cd 42.74967873 34.60537431 36.91569899 -48.70729453 -89.69375633 -60.50996465 Cd 43.64560414 35.74561173 37.91790007 57.86069067 81.51763942 68.44595284 Ca 40.15541676 37.39877217 37.18971014 -68.49654203 481.73579763 -67.18223753 Cd 40.94076052 37.91307651 39.32934544 -21.02659700 40.20964344 16.63056075 Cd 35.46420824 39.96710492 34.92167700 -106.76503234 -182.32203815 -194.01970570 Ca 36.14863438 41.11659227 36.16351463 181.25372422 -264.94381920 73.94334383 Cd 37.17839442 42.29620590 35.19057203 129.30325944 145.70883284 -159.79337343 Cd 38.43229311 43.73744827 36.01402027 22.88827873 29.19699762 14.27184523 Ca 38.29757693 39.85311580 37.83003905 148.39161922 -239.31820871 -416.80888465 Ca 38.86710779 41.37548623 38.60566502 -357.87665467 331.92718553 116.54483414 Ca 35.07969111 42.41489227 37.51654600 -323.27641344 196.85400806 214.86306526 Cd 36.69479542 43.35744518 38.43320988 68.72559872 83.61400326 -12.86965732 Cd 40.40330392 40.18224988 35.31278576 -75.15546042 -64.23927397 -115.41675920 Cd 41.19482990 40.85378625 36.58979190 13.23444858 79.98593253 103.47694758 Ca 42.31953800 43.02717546 35.30584359 -265.74120258 -233.36326631 -210.30071987 Cd 43.33764042 43.91535663 36.15935600 260.18949499 226.31330623 221.39014927 Cd 43.00776262 40.36227854 37.19941758 -104.14734481 128.19771865 179.34858181 Cd 43.68888509 41.54774437 38.44057059 104.10068077 -56.04252947 -72.40174415 Ca 39.78458290 42.83784691 37.96497245 -90.14033318 211.66450018 -329.38575791 Cd 41.12464005 43.53730258 38.58715790 316.09127966 186.53371651 141.13046557 Ca 35.36372212 34.76240660 39.68254066 -187.54363040 -290.71560720 -335.13014992 Ca 36.06531496 35.83650163 40.89697157 -77.97654470 -59.48729281 227.91521041 Ca 36.75768718 37.65131030 40.42903887 110.09405582 424.32004662 -135.70818352 Cd 38.50881642 38.54310740 41.33692648 80.04554651 42.59702695 35.36892167 Ca 37.02976704 34.58905584 42.57359302 48.10658869 -207.25749973 153.09045630 Ca 38.71471096 36.10135932 43.66529812 -292.94532632 -242.60178412 245.52385699 Cd 34.60866040 37.08786970 42.19602755 -28.05887100 17.95923580 13.85655391 Cd 35.66294387 38.20452130 43.91463221 7.36700985 4.52987300 4.66903698 Ca 39.51626284 34.91445021 39.67191986 143.67574129 -454.26831034 238.53471183 Cd 40.95343381 36.50952489 41.71111631 222.14366869 -185.49826960 -302.50362456 Ca 42.96543266 37.33112972 40.04163954 -113.37207464 -266.47624069 -256.88925689 Cd 43.68171700 38.33004603 41.17291825 173.24759407 246.18417336 280.48726967 Cd 42.61138709 34.89878546 42.78489687 -76.14683740 -76.12832377 -94.26906252 Ca 43.69629530 36.04388832 44.14534354 70.03778318 81.30105831 90.26078938 Ca 40.07023254 37.25522559 42.90429937 -110.67827518 144.72888343 -87.25403934 Ca 41.22975650 38.85299683 43.71836453 104.76079102 209.72547471 285.74910073 Ca 35.35886605 40.23166904 39.94237275 -156.93642761 59.25993682 115.01547153 Cd 36.11531311 41.52221949 41.58737120 -46.53915592 70.51719182 -267.82087189 Cd 37.60231780 42.87283489 39.99127253 -69.58655125 -80.45197382 -8.97523339 Cd 38.66501309 43.56677778 41.01917747 99.91275732 61.72721063 96.12201747 Ca 37.15309958 40.42311431 42.55253863 -139.47042908 -337.06244415 -144.19652837 Ca 38.33347222 40.95872728 43.67410853 297.80856694 129.29731405 312.09581635 Ca 35.30607962 42.76154551 42.75949199 -206.11195168 24.91179796 -56.41629286 Cd 36.04273725 43.67709151 44.19742274 107.54708785 130.14473508 206.36922304 Ca 39.88761442 40.14954043 39.55029493 410.33841831 -299.01384372 411.02101854 Cd 40.94816938 40.92510006 41.65944301 56.21620049 -81.95244221 -93.87790960 Ca 42.96070628 42.75238673 39.83193849 -356.14558696 -265.61118830 -108.39526425 Ca 44.12229896 44.16557061 40.82623522 303.35978256 367.69487017 259.83744188 Cd 42.42472124 40.01871553 42.79640510 136.46422474 88.30810473 -115.72424336 Cd 43.83907460 41.18467791 43.59359090 41.15465091 34.92714767 22.20632337 Cd 40.05349892 42.01994484 42.46179051 -88.13714975 94.65955666 30.41396204 Ca 41.36070071 43.07915141 43.85329395 25.22394118 20.60874833 27.65544818