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=21304.204473661688 stress="-0.15257227379503593 -0.03726836308122074 -0.11997803901400314 -0.03726836308122074 -0.21654179570858076 -0.03578765263780673 -0.11997803901400314 -0.03578765263780673 -0.4257848655955632" pbc="F F F" Se 34.58430328 34.59055922 35.08302142 2.12292681 2.73988947 2.50412625 Se 36.16636614 36.28417870 37.11497743 -451.73812414 156.71076626 -310.96586949 Se 37.00505531 37.35962291 35.03764107 1.29049669 0.76333157 8.54985591 Se 39.12309263 38.26173185 36.66076327 -26070.77598587 33082.09308493 -63755.83932704 Se 37.73576585 35.64289069 37.58198108 -2529.79193068 -6536.56891309 -5734.86011277 Se 38.25608535 36.63981743 38.53183938 3035.69403574 6050.06239657 6066.08207324 Se 34.58581598 37.12490139 37.67326744 -274.16187937 135.66186445 91.80277562 Se 35.67780696 38.79832067 38.71540354 518.45719983 -1508.59092062 -1967.70533690 Se 40.21747016 34.55350833 35.43688668 2.12262422 4.29411232 4.59699410 Se 41.74481027 36.67301188 36.97070891 -21.77965885 42.02305217 9.26951693 Se 42.48151736 37.39125863 34.99739700 5.14311514 7.33740490 -9.72187548 Se 43.95679642 38.81574994 37.08538754 205.34396505 -254.31919203 -36.03805105 Se 42.39736556 34.72829102 37.49958854 13.07210495 -36.68926318 12.10732297 Se 44.07490962 36.86671688 38.48960943 547.80128446 -3.70154802 -770.35600723 Se 39.55098544 37.71869126 37.70736600 26283.96480864 -32901.25756968 63617.84981308 Se 41.17899873 38.64627577 39.09045606 8.16752414 0.44846755 -1.03871509 Se 34.86764837 39.88289547 34.55547714 -76.26686812 -78.92817244 -66.13891220 Se 36.06166479 41.08283311 35.60082788 35.18021883 26.57161372 85.66595200 Se 37.69283336 42.09479332 34.86927117 64.27686539 34.88010975 -23.17788226 Se 38.14090015 43.81764080 36.49268806 0.81003562 -7.60029384 7.48944439 Se 37.26094197 40.09120955 37.51422150 -3.32616037 -8.19354471 -3.96107920 Se 38.75528694 41.70305286 38.07952049 -1742.67917421 -1484.36053727 -146.15676309 Se 34.72954456 42.24246063 36.88698114 -9.58576042 12.32250487 16.48806173 Se 36.38778283 43.58876913 38.59692337 5.58121719 -7.59892139 -1.43209969 Se 40.16872903 40.44148026 34.99090419 -10845.42076258 -12792.90236102 -11895.09558193 Se 40.89954742 41.30360034 35.79278604 10758.14640013 12760.36403052 11974.37093883 Se 42.42613699 41.88655325 34.62690905 83.74281917 30.22394606 -61.25240860 Se 43.92566570 43.56698556 37.04378272 -6.15493463 -4.71283974 4.41648283 Se 42.76467781 40.24302389 37.29689751 -5346.42185335 -5869.74529138 -14279.70893611 Se 43.20557108 40.76967526 38.52794483 5123.20593634 6109.29023852 14307.06169516 Se 39.99313669 42.76064867 38.18556041 1498.73070090 1375.39964258 110.22644823 Se 41.69863091 43.54371440 38.45580928 243.73438712 112.37740050 32.96294211 Se 35.11193275 35.10363071 40.45459991 -69.08938807 -71.02656316 -3.92968410 Se 36.50998817 36.55530823 40.55739562 34.61285969 49.67787521 9.31705644 Se 38.20407375 37.78946939 40.36324985 92.10350413 -113.63623914 -252.37211269 Se 37.91220775 38.74233423 41.95269292 4584.73216923 -4987.05643926 -1295.65508359 Se 37.56578562 34.90031607 42.23921284 -1.61033737 4.07661588 -8.22003503 Se 38.69844338 36.18650468 43.83493778 2.02648792 1.60818744 -1.98359358 Se 34.78087763 36.98060917 42.66317977 6.93406640 1.43267249 -5.68598975 Se 35.95822916 39.56217836 43.28129001 -10181.63665322 -2801.48756910 10424.07228407 Se 40.31328613 34.57938128 40.63331486 -809.18178885 -2511.38321076 -2857.04593030 Se 40.63948126 35.59367746 41.78613846 792.46310305 2528.15846425 2853.27724362 Se 43.05561853 36.87314925 39.89974471 -560.41684928 7.14930283 765.78942826 Se 43.95922530 39.38733717 41.41974705 255.58429676 -105.02560536 -213.21674756 Se 42.35871917 34.64561309 42.84716331 -27.26509460 -26.71112705 -15.95176688 Se 43.99800591 35.60751584 43.77072707 35.61585004 22.33019437 19.67714832 Se 39.93425716 37.91540598 42.82818568 -698.71042191 -496.03597175 -187.93427357 Se 41.33206110 38.90279522 43.19065898 103.82310918 -4.51989537 489.90420456 Se 35.35388874 39.76312841 39.97580726 -499.98528429 1512.41036287 1980.01368856 Se 36.14084691 41.58249955 41.43138432 62.51629114 -17.04976820 -78.61143656 Se 37.84279464 42.28496316 40.47983253 -9804.28587072 -16315.95094514 -17315.61291019 Se 38.36477283 43.14937021 41.39445549 9754.89596027 16423.26158681 17152.25583308 Se 36.93251096 39.83041218 42.28328766 5566.81582494 7915.84921178 -8850.05768130 Se 38.71522395 41.28435133 43.79482675 -1743.26902120 -2267.13671953 2689.21520750 Se 34.56827197 42.01945736 42.52019487 -123.79230383 33.89119720 90.54057168 Se 36.63468457 43.78485513 43.26484837 2.60546242 -8.85596896 -7.04095299 Se 39.72925770 40.36307483 39.91258219 -3.81744301 4.73183521 1.88760392 Se 41.58615674 41.55773026 41.29296736 -8.66930170 7.75115519 -5.77109182 Se 43.19682447 42.55812644 39.84520013 -1015.28501950 -5904.60255810 -7512.13324603 Se 43.35248201 43.45947422 40.99253171 1015.88595597 5907.18292726 7524.99020749 Se 42.57947732 39.95127058 42.53943989 338.55808772 601.63056927 -95.91398255 Se 44.13582136 41.33609568 43.74598148 -3.45316451 -0.70602446 -4.07938754 Se 39.40982909 42.18880353 42.71766306 1844.62358441 2167.12145949 -2572.04248117 Se 41.41975095 43.22006962 43.80867039 -1.81424498 -5.47350051 -5.67757558