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=323550.9083884909 pbc="F F F" Db 0.80727435 0.79620833 -0.20608109 105 -7041.12398582 -8086.42604726 -10555.44222933 Db 1.62229858 1.73092005 1.01641740 105 5062.87353199 -70058.19360667 28281.40450674 Db 1.66877981 3.22321343 0.66584594 105 2473.73063867 78044.06901667 -18371.20468643 Db 4.17275438 3.70166668 1.99609831 105 3450.70468815 -3433.46703916 -4618.89422455 Db 2.78994456 0.24967094 2.59175270 105 -21696.70576392 -4891.50054267 -13610.56144749 Db 4.17914021 0.55827020 3.46571387 105 13353.34625684 19885.57673202 -31087.61145169 Db 0.17781520 2.32250821 2.52504961 105 -25034.18666558 -32017.55178732 -31463.01369565 Db 0.93057747 3.31193014 3.50972103 105 24519.01447627 32107.92415275 31687.06500887 Db 5.56474885 -0.34240162 0.40583896 105 -85946.96510691 -202595.32183900 -34825.14818441 Db 6.11184539 0.94732975 0.62757602 105 85815.93563910 202570.27640692 34750.01395194 Db 7.53162434 2.93399690 0.00059750 105 -9122.73578418 102.40841280 -4993.33449517 Db 9.10469352 2.92603681 0.85495359 105 9155.81647953 -54.55118134 4980.27262263 Db 7.73290847 0.27253551 2.33214796 105 -6159.06098829 -3974.71781854 -7207.29707520 Db 8.80884043 0.95379079 3.59100378 105 6228.80215423 3960.67919561 7301.83812810 Db 5.26284471 2.35710002 2.75310417 105 -743.13904185 -7336.56568964 -148.49654327 Db 6.48662283 3.63035761 3.35453506 105 13653.04208782 -212.73020334 -5941.81665447 Db -0.29307903 5.63034303 -0.32709372 105 -4.90582765 -19.99596919 -19.23901373 Db 1.19918647 7.04270827 1.47443093 105 15948.83792166 -3459.53685588 6637.83700822 Db 2.15892532 7.30879454 0.10060695 105 11964.16972572 3297.50877659 -17155.16692787 Db 3.89303040 9.03312215 1.16586321 105 -292.89685078 257.55453971 -149.58952077 Db 2.99831395 4.95831191 2.51479750 105 -6490.10735189 6947.71009271 2866.94741710 Db 3.98168045 7.13615913 3.92026646 105 307.37238196 -76.07080128 -408.92853668 Db -0.34885170 7.04752525 2.05555129 105 -27980.91734277 -48.43580979 10397.62858362 Db 0.76704238 8.82758097 3.19841111 105 80.53965451 189.35821572 146.98389044 Db 4.77486551 4.27739864 -0.14280219 105 91.95635454 84.91325122 -303.37398136 Db 6.77054571 6.09910538 1.40975870 105 -174606.78473101 217864.55243600 -64466.24082826 Db 7.50869280 6.92900396 0.28424312 105 25029.26342679 28187.85348771 -38270.83689186 Db 8.92392125 8.72219658 1.53521967 105 35.12235415 26.28050330 10.43257354 Db 7.44851589 4.98449952 1.87259536 105 150241.84429836 -246386.03679785 102139.55252034 Db 8.71763215 5.85879925 4.39620503 105 631.43844670 -2257.94414606 -1516.02856763 Db 5.52331109 7.74135142 2.04675523 105 -736.42620025 22.74374533 -229.05633430 Db 6.95270163 8.60273880 3.38583598 105 590.10077207 370.46946434 579.99312224 Db -0.23530942 0.67041020 5.15211689 105 -2002.99445613 -1124.03324262 -1757.85058968 Db 1.13032687 1.44088360 6.34345459 105 -328.73092102 -1583.02918449 3386.56358940 Db 2.18139904 2.81183593 5.49934232 105 -4491.88624388 -1172.04723816 -5061.98378935 Db 3.62091324 3.64904068 6.22476703 105 30354.80345744 -54381.07971246 -85712.82914774 Db 2.71743401 -0.07421849 7.05954728 105 -1954.27009803 -1744.08645477 -2219.59378577 Db 3.90445074 0.77690193 8.33758388 105 2139.13540285 1503.07028148 2343.89410766 Db -0.37976088 3.34091275 6.91835298 105 -1446.01371575 -3343.02447448 5296.73601745 Db 1.81006263 2.92344932 8.69856419 105 -35.47360290 -55.67248881 44.57989561 Db 4.44773121 0.04617380 4.95125661 105 8142.44708539 -15480.70732710 44943.17718195 Db 6.40726957 1.37297173 6.73984878 105 -678432.38051791 876292.99293724 -347963.94319600 Db 7.52813707 2.62780629 5.95006506 105 -86052.71647189 -74030.89320025 417.85389941 Db 8.64907775 3.60531840 5.91087188 105 89854.54959085 78347.05792173 -3132.46202423 Db 7.13201379 0.42708019 7.11620278 105 674054.73774734 -881346.21677452 349731.73525738 Db 8.59987188 1.08302479 8.46029540 105 871.01127113 393.82072582 795.99252266 Db 4.82801837 2.89043897 7.25057391 105 -15051.91794667 -13767.29380468 -18972.16247771 Db 5.88886022 3.24826968 8.43037823 105 23981.98737928 7811.30987514 27096.07785621 Db 0.02078066 4.32533372 5.39693236 105 672.23021203 2496.49167307 -5563.72155278 Db 0.95742282 6.00912990 6.19785100 105 84049.86317793 -229483.29446043 -183394.17568505 Db 2.61855399 7.30643498 5.65636870 105 -36326.81640832 -23544.15989766 -22126.28408687 Db 3.80428301 8.08428171 6.37942535 105 36159.40127927 24259.68878574 21849.20431053 Db 3.16794473 4.53274920 7.34684919 105 -33880.49072790 62434.84886982 80315.85685075 Db 3.92336044 6.15691192 8.23281643 105 -3481.17613658 -2502.57398785 2124.08749974 Db 0.57790250 7.04863423 7.02942937 105 -84117.19070425 230001.68552414 184083.97316240 Db 1.16750438 9.10381205 8.29845254 105 30.22857878 77.04768846 45.52109150 Db 5.19698451 4.14908338 4.42687877 105 -9821.66229867 4114.28488447 8266.97481927 Db 6.11279370 6.30426486 6.41156329 105 -8063.52801690 17530.49335017 -16326.02428985 Db 8.26393417 7.46103750 5.45669208 105 -10935.58255406 -15101.25210229 -8948.56396596 Db 9.02970811 8.74971892 6.23197101 105 10320.52511526 17374.25843183 10454.23296888 Db 6.67626254 5.10316853 7.43207251 105 8628.37284106 -17890.61174826 15230.79125590 Db 8.60875331 6.48032654 8.19964257 105 66.42971637 51.65580467 24.49398787 Db 5.21435245 7.45770149 7.92099807 105 -1015.79974052 -5858.87966641 -2604.17413675 Db 5.97974069 8.99584750 8.33722427 105 5334.95205824 10709.31671703 2893.33440951