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=1130175.6772202926 stress="-7679205.829795072 -3472228.511969785 1747658.476751186 -3472228.511969785 -3158647.3282954404 468691.06621815264 1747658.476751186 468691.06621815264 -2783506.3786796704" pbc="F F F" Bk -0.24047799 -0.12007285 -0.22919686 0.68687431 0.49041068 0.81995980 Bk 1.78739004 1.04543246 2.02132641 -28200.87340849 43482.81529420 -7694.43018072 Bk 2.14903176 2.20165455 0.39213273 446.04978093 1636.53435728 -2430.80821364 Bk 4.08793571 3.72390540 1.11060241 -34979.27107320 -44579.09593703 25892.64547599 Bk 2.61852035 -0.32519774 2.31980323 17286.09589008 -54865.47961574 -2329.21109971 Bk 3.57777649 0.60348926 3.47901507 10240.01141171 9544.51069612 11816.16497346 Bk -0.16508840 3.29011525 2.48255356 -514.12134180 -163.28936332 -201.31630565 Bk 1.86727783 3.92261757 3.33828186 -12723.63905100 -19428.12532287 8942.25386415 Bk 4.88658805 -0.35582458 0.38516670 -54.42833855 -50.98237029 -30.22833077 Bk 6.76264334 1.30392457 1.16979779 -1717.59602165 -6252.02854670 -3077.48340984 Bk 7.23773672 3.08298344 0.75683745 -1117.59009962 4059.53060761 -3264.95134309 Bk 8.52670260 4.43156640 1.35576105 11178.48320419 -2957.82009411 -717.48753985 Bk 7.56157495 0.14297999 2.58154406 1253.94225956 -2676.72718605 2333.54057479 Bk 8.59486550 1.75816085 3.81171811 1375.61014252 -87.48637394 -960.66527728 Bk 5.58172143 2.04815114 2.64614264 -3194.41826568 -1878.33033123 672.42865538 Bk 6.40350747 3.67544150 3.46671509 5293.36214870 1562.21081213 -857.31956969 Bk -0.09087036 5.54518604 0.63387234 -245.47670613 -114.37500554 -150.33358849 Bk 1.79883996 6.32758895 1.94461170 -46223.44035954 50008.76398012 -32906.52230176 Bk 2.11979743 7.02256405 0.16433508 946.92912632 1999.07352470 -5119.34074686 Bk 3.84631853 8.81527448 1.43801803 -5781.07112098 7384.23984079 -6346.90552197 Bk 2.71277348 5.28153517 2.70429416 -44789.60197652 -99850.85696073 2932.19059081 Bk 3.95869757 6.11008715 3.00896772 96929.16703640 57036.34833656 29416.97685823 Bk -0.13922191 7.51521273 2.78988993 -98213.90291659 -58999.81040332 -56481.18891109 Bk 1.03190307 8.22190372 3.46610341 97796.64705196 59408.58833659 56416.65798308 Bk 4.99406621 4.87623762 0.44058208 33537.70609871 41468.71457602 -26742.49996206 Bk 5.81379400 6.65858131 0.85663551 -2477.52160854 5848.20308859 -3126.62002691 Bk 7.73782878 7.77968448 0.24283001 -703481.15131425 -1035850.69901827 -722913.54619003 Bk 8.35432178 8.68712423 0.87581578 703923.58044402 1036132.01681670 722760.17576974 Bk 7.10133555 5.54216157 1.74165492 -3739.42662148 2732.91449473 5101.50029945 Bk 9.08864640 6.20098487 3.68021123 319.69507805 -299.80546031 -255.21073951 Bk 4.78602211 7.62264630 2.47005290 9894.64397269 4379.75721742 1726.56966593 Bk 6.21670333 8.20760963 3.84348498 -7846.66576354 5149.31651685 -5299.82730493 Bk 0.03794249 -0.43462376 4.82657361 -55.82535884 -112.45472857 -77.30966391 Bk 1.03889339 1.50642358 6.09583471 -1738.88630510 -925.74851741 1961.36841485 Bk 2.23015955 2.28676359 4.64429016 1730.33111907 -148.18331888 -1176.33802336 Bk 3.28150236 3.70923549 6.26381233 3253.48334221 -8477.87616797 -10098.68595719 Bk 2.45211351 -0.10671774 7.21378454 -320.18144376 -663.40497467 65.17927441 Bk 3.84460793 1.61103846 7.78894084 -5371197.96330048 -1808971.38504290 897108.94504464 Bk -0.29457759 3.26716952 7.32359057 -85.46564995 -15.77871277 179.68130178 Bk 1.98708400 3.86362504 8.92415394 -4862.59688543 -5497.40743451 7179.72965521 Bk 4.37121444 0.27584778 5.60892312 -489.33709876 -650.30879624 -32.48644503 Bk 6.12939435 1.37363419 6.35056492 178.72624564 -8085.20390190 -1264.38807894 Bk 7.31392554 2.38935836 5.36656660 5800.14115432 6251.40642541 -4217.82711643 Bk 8.87835356 4.28630764 6.64465620 -614.58708500 -7146.29173923 -6072.52253191 Bk 7.51950837 -0.06879602 7.34960459 460.72452104 -586.11209930 320.19984187 Bk 8.67656959 1.95798612 8.54975815 38.07654353 59.29545675 42.23274489 Bk 4.91100422 1.97025924 7.61089910 5364880.37183080 1812652.81260102 -889890.13701132 Bk 6.27214925 3.92205806 8.84370166 -34096.89062108 -65791.20132560 69612.29899644 Bk -0.40745950 4.98407208 5.50259296 -203.38422967 -25.99783405 -170.76757139 Bk 1.54818738 6.36457850 5.95845377 -1193729.62195563 -1218088.76384391 1455016.21778328 Bk 2.20029336 7.03000070 5.16369874 1193688.01132655 1217369.00704291 -1455196.96412908 Bk 3.07211573 8.79601199 6.18566098 386.16686392 748.58183745 354.78325305 Bk 2.85698293 4.83684942 7.61053343 -2431.23323066 5238.61531588 -7929.30911289 Bk 3.33900193 5.90031131 8.97971308 4015.64925482 8857.63557878 11271.94902091 Bk 0.11540295 7.82804508 8.07207832 -7431.12361401 -2756.81812471 -1995.39190098 Bk 1.82558682 8.46367550 8.53315635 7396.33318967 2757.88261490 2054.74724010 Bk 4.79548174 4.28980284 4.40472087 -3676.55391597 1364.50582724 2280.78808711 Bk 5.80477566 6.68054172 6.42962776 343228.25671037 -202500.58391926 -612902.76530032 Bk 7.59491733 7.55500714 4.84047066 -822.70132767 -6242.40530533 488.18221702 Bk 9.10543974 7.86633643 5.81755653 10072.90625191 2116.53537220 6551.46377127 Bk 6.79313010 4.92731631 7.78122615 33753.64613548 65537.37572561 -69343.90973830 Bk 9.04158356 5.70763180 7.83789729 1141.04745582 7226.52363402 5994.15851272 Bk 5.17748091 7.04974094 7.54844751 -380543.07771471 79634.68725840 592764.96664516 Bk 5.61511574 8.49136448 7.77910280 37153.14325896 123091.94417902 20015.88266935