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:Z:I:1:forces:R:3 energy=36231359.922435835 pbc="F F F" Ba 0.35828459 0.19683470 -0.12434539 56 -22383.55360735 -29990.54759367 -34911.31348452 Ba 1.27936116 1.43994126 1.32694314 56 18164.10641075 24619.17948474 26860.44902036 Ba 2.99666721 1.92543724 -0.39548556 56 2913.49300777 -604.49126593 -8212.60983059 Ba 3.51083952 3.48577876 1.57472310 56 -13316182.89028782 8303869.68502147 -9177690.15658685 Ba 2.68760415 -0.31398838 2.32191629 56 4015.84851726 -5737.34099463 2729.31243838 Ba 3.40238471 2.09788232 3.92320492 56 2288583.55006275 -2736687.78745688 -7843333.60621388 Ba 0.39452450 2.91367997 2.92194694 56 -2484208.08744828 -1241505.13874339 -5387937.76657224 Ba 0.98225316 3.20766887 4.23781509 56 2301917.64614185 1110420.99702389 5508486.01831696 Ba 5.16806821 0.09676219 0.07728548 56 -207245.50493037 -410648.67525890 -213663.90056244 Ba 5.89671047 1.53624318 0.82723610 56 -88842.73939458 303508.92526932 362607.02231505 Ba 7.44225129 2.06100127 0.00331671 56 298000.25972907 96271.18019765 -162167.10097404 Ba 8.35637900 4.25278830 0.70025703 56 33889.83799085 -11302.90272869 -263226.19234715 Ba 7.11400244 0.03215026 2.47246258 56 -9602.08864549 -14423.96044451 -3510.86755628 Ba 8.68883034 1.47140154 3.32276555 56 255371.61705421 -539976.80563921 -568471.29467147 Ba 4.50414688 2.86785894 2.25067175 56 13262475.10583463 -8329262.21495257 9024131.84417988 Ba 6.29092666 3.13216647 2.97634277 56 122040.56810135 12413.40872317 60343.80748296 Ba 0.68729066 4.70983640 -0.30306778 56 -7313.96262634 -10745.03155475 -7073.01077484 Ba 1.84430952 6.41345088 0.79194619 56 -180591.54530141 -328794.72791964 78019.58069875 Ba 2.72864176 7.95635625 0.43604033 56 -26673321.04356117 -12827947.01472662 -35508015.23968606 Ba 3.45709871 8.31328628 1.39673450 56 26821263.41905706 13198547.20726531 35383401.70802742 Ba 2.11494896 4.02293365 2.91585620 56 100586.81353876 155021.51388850 -60056.71676802 Ba 4.20240903 6.30909570 3.52240486 56 -2003848.67520314 -4011188.76019924 2842655.02879911 Ba -0.11556310 6.70550936 2.18690613 56 -7329.98378278 1128.05144367 5049.48632379 Ba 1.23930178 9.00451655 4.10254526 56 -131582.96860474 162990.75282981 -163830.82419781 Ba 5.31413077 4.89223163 0.01416054 56 -1527127.75580493 -2168675.39694838 -2367936.93571148 Ba 5.97234752 5.82694283 1.03374589 56 1527462.11356469 2167965.69433026 2364845.61936420 Ba 8.11262317 7.27676662 -0.00338029 56 -93657.10428295 -197502.11052403 -173385.76547598 Ba 8.74310902 8.59837023 1.14690114 56 94736.59346811 198543.21089985 172772.73972896 Ba 8.14435445 4.36816038 2.55319127 56 -12919.45149287 28159.33615985 257164.53970528 Ba 8.35813375 6.38552652 4.25810567 56 135252352.08720767 -62527372.29727527 -96507637.46979372 Ba 4.76300054 7.43129876 2.72698516 56 2033473.27970492 3967577.10984008 -2804562.75892029 Ba 6.26325538 8.72289264 3.79695514 56 14066.50821276 17781.47348010 7924.54009674 Ba 0.23490732 -0.08385355 4.74970443 56 -5185.03090314 -3269.22272141 -8809.66665216 Ba 1.37224469 0.61530076 6.73063252 56 -171690.84663018 137080.83327828 -206265.24837369 Ba 3.02083219 2.54713121 5.22681087 56 -2299174.07537220 2696442.53655083 7871941.01564674 Ba 3.42534433 4.18049977 6.73610254 56 73920.21865891 -212751.49871166 -196367.91057918 Ba 2.42727671 -0.20181501 8.00785153 56 88297.12020320 -248470.79887105 143002.47150847 Ba 3.51358864 1.15221881 8.88306386 56 -94602.86020090 -12918.90757898 147744.91175556 Ba 0.39173460 3.00871633 7.12734525 56 -86511.35839356 -108049.87775778 -315010.18495813 Ba 0.84194732 3.59291540 8.80423469 56 84605.11219246 110082.82576743 316984.75009603 Ba 5.11954550 -0.11860103 4.80943441 56 -70167.80013524 -43161.34146207 -72029.62099236 Ba 6.40368816 0.65822140 6.13232703 56 -918029.00691424 225466.99442978 -1312955.07405413 Ba 8.19012925 2.60403364 4.50658321 56 -241093.56723268 536268.74691630 571043.10221752 Ba 8.73679707 4.28239135 6.01825357 56 14209.98898007 5953.56151272 3159.18215804 Ba 7.33947387 0.48460013 7.44369564 56 953470.99150097 -187856.67683856 1349819.37833390 Ba 8.83920525 0.66090582 8.93715596 56 35453.32114112 4168.05198809 35304.03524524 Ba 4.99486457 2.15053003 8.27330028 56 182473.18977026 122885.59910292 -75249.18687291 Ba 6.68132887 4.21071541 8.95085060 56 -23681242.56966353 -12162330.35912985 42619342.54157804 Ba -0.07935164 4.98310010 5.05814525 56 -13792.63491666 21899.33220174 9459.43706173 Ba 1.22136708 6.97385511 6.64254509 56 -29399.20028875 -153343.99568642 88537.76173828 Ba 2.16471520 7.85958165 5.25465632 56 214363.24200742 -67246.28305420 -1693.44221145 Ba 4.27042866 8.41280841 5.71590844 56 16295.31286923 19245.11375094 -15916.80505153 Ba 3.01498197 5.50044670 7.95545970 56 -438936.13180714 -139646.29010034 41984.86141513 Ba 4.20734684 6.68454649 8.50721769 56 -5754204.73312360 -5631508.87949196 7668678.36548832 Ba -0.11887425 7.85436663 7.81665888 56 -460268.11675380 -754303.66010907 -396024.23871553 Ba 0.51756375 9.20766203 8.59900694 56 379548.19706456 807535.80105377 466930.92705881 Ba 5.85386942 4.84133184 5.48413594 56 -6565929.59365751 -7815959.63204365 -2588503.61719402 Ba 6.73245861 5.88723288 5.83058636 56 4515566.31415585 5418431.54066186 5146466.96266995 Ba 7.49415944 6.78500352 4.87455773 56 -133222269.34577972 64896237.98891077 93924050.24012965 Ba 8.47294165 8.38000325 5.94251499 56 19506.56758684 33565.48780315 22900.17190303 Ba 7.27023735 4.51317595 7.89100426 56 23671222.08918500 12154966.42870085 -42609410.88808560 Ba 8.72053638 6.12714674 8.96717594 56 6322.86937703 6845.04812727 4052.46453559 Ba 4.96048706 7.42229441 7.58496890 56 6130779.99491512 5985889.40806618 -7475649.50486650 Ba 6.58128572 9.09086201 8.95122765 56 1306.84953451 1399.60310275 1114.64169709