mirror of https://github.com/phonopy/phonopy.git
634 lines
82 KiB
Plaintext
634 lines
82 KiB
Plaintext
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227.0060914 225.0051413 224.9203806 226.0049470 227.9715322 230.5622216 233.7367279 237.3320762 241.3521952 245.7091047 250.3474823
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230.7727832 228.8002713 228.7429539 229.8538353 231.8457016 234.4605716 237.6582380 241.2756351 245.3168188 249.6937522 254.3510793
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234.4790997 232.5335742 232.5022744 233.6380821 235.6538764 238.2916161 241.5111724 245.1493965 249.2104664 253.6062937 258.2814928
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238.1265692 236.2066693 236.2000526 237.3594891 239.3979487 242.0573368 245.2976007 248.9555158 253.0353773 257.4490500 262.1411218
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241.7166884 239.8211372 239.8379541 241.0198061 243.0797521 245.7596493 249.0195195 252.6960683 256.7937034 261.2242473 265.9322642
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245.2509199 243.3785193 243.4175989 244.6207311 246.7010615 249.4004044 252.6788537 256.3730512 260.4875125 264.9340213 269.6571210
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248.7306913 246.8803161 246.9405606 248.1639096 250.2635939 252.9813888 256.2774585 259.9883860 264.1187905 268.5804204 273.3178005
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252.1573943 250.3279872 250.4083662 251.6509357 253.7690091 256.5043268 259.8171211 263.5439209 267.6894450 272.1654093 276.9163223
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255.5323836 253.7229508 253.8224969 255.0833524 257.2189109 259.9708816 263.2995629 267.0414335 271.2013080 275.6908727 280.4546214
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258.8569775 257.0665837 257.1843881 258.4626525 260.6148486 263.3826574 266.7264414 270.4826333 274.6561393 279.1586186 283.9345520
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262.1324571 260.3602221 260.4954302 261.7902795 263.9583178 266.7412007 270.0993528 273.8691641 278.0556289 282.5703817 287.3578913
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265.3600671 263.6051617 263.7569693 265.0676291 267.2507626 270.0480026 273.4198340 277.2026069 281.4014005 285.9278265 290.7263433
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268.5410156 266.8026584 266.9703084 268.2960502 270.4935768 273.3045006 276.6893645 280.4844822 284.6950141 289.2325508 294.0415417
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271.6764752 269.9539292 270.1367083 271.4768462 273.6881056 276.5120801 279.9093693 283.7162526 287.9379687 292.4860887 297.3050540
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274.7675834 273.0601531 273.2573886 274.6112766 276.8356470 279.6720769 283.0812203 286.8993250 291.1317049 295.6899132 300.5183840
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277.8154431 276.1224717 276.3335291 277.7005581 279.9374538 282.7857785 286.2062389 290.0350533 294.2776078 298.8454393 303.6829754
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280.8211237 279.1419907 279.3662709 280.7458662 282.9947352 285.8544264 289.2856978 293.1247403 297.3770093 301.9540266 306.8002140
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283.7856617 282.1197803 282.3567173 283.7483365 286.0086578 288.8792176 292.3208233 296.1696401 300.4311904 305.0169818 309.8714311
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286.7100616 285.0568767 285.3059356 286.7090662 288.9803479 291.8613063 295.3127966 299.1709600 303.4413834 308.0355612 312.8979058
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289.5952968 287.9542831 288.2149576 289.6291151 291.9108926 294.8018059 298.2627565 302.1298630 306.4087744 311.0109730 315.8808674
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292.4423107 290.8129704 291.0847815 292.5095077 294.8013416 297.7017904 301.1718003 305.0474691 309.3345051 313.9443797 318.8214980
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295.2520171 293.6338785 293.9163725 295.3512335 297.6527083 300.5622961 304.0409864 307.9248573 312.2196750 316.8368999 321.7209344
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298.0253016 296.4179175 296.7106643 298.1552492 300.4659713 303.3843228 306.8713352 310.7630680 315.0653428 319.6896104 324.5802705
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300.7630223 299.1659682 299.4685601 300.9224794 303.2420760 306.1688359 309.6638311 313.5631038 317.8725289 322.5035483 327.4005593
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303.4660106 301.8788836 302.1909337 303.6538180 305.9819358 308.9167674 312.4194240 316.3259316 320.6422166 325.2797124 330.1828146
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306.1350722 304.5574896 304.8786304 306.3501292 308.6864330 311.6290170 315.1390305 319.0524841 323.3753539 328.0190655 332.9280127
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308.7709880 307.2025859 307.5324684 309.0122490 311.3564206 314.3064542 317.8235357 321.7436614 326.0728553 330.7225356 335.6370947
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311.3745147 309.8149472 310.1532398 311.6409858 313.9927231 316.9499186 320.4737941 324.4003320 328.7356026 333.3910173 338.3109675
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313.9463859 312.3953238 312.7417109 314.2371218 316.5961377 319.5602220 323.0906310 327.0233344 331.3644470 336.0253739 340.9505055
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316.4873127 314.9444426 315.2986241 316.8014139 319.1674354 322.1381489 325.6748441 329.6134785 333.9602103 338.6264383 343.5565522
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318.9979846 317.4630079 317.8246980 319.3345946 321.7073620 324.6844577 328.2272039 332.1715467 336.5236857 341.1950143 346.1299216
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321.4790701 319.9517025 320.3206289 321.8373731 324.2166391 327.1998822 330.7484556 334.6982947 339.0556396 343.7318783 348.6713993
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323.9312177 322.4111879 322.7870910 324.3104361 326.6959652 329.6851318 333.2393195 337.1944534 341.5568125 346.2377799 351.1817438
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326.3550562 324.8421055 325.2247380 326.7544485 329.1460164 332.1408934 335.7004925 339.6607292 344.0279200 348.7134435 353.6616877
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328.7511958 327.2450772 327.6342030 329.1700545 331.5674473 334.5678314 338.1326487 342.0978053 346.4696541 351.1595693 356.1119390
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331.1202285 329.6207063 330.0161001 331.5578784 333.9608919 336.9665895 340.5364406 344.5063426 348.8826838 353.5768342 358.5331818
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333.4627288 331.9695777 332.3710243 333.9185249 336.3269644 339.3377905 342.9124996 346.8869809 351.2676565 355.9658928 360.9260778
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335.7792544 334.2922591 334.6995529 336.2525805 338.6662600 341.6820382 345.2614375 349.2403392 353.6251986 358.3273784 363.2912666
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338.0703466 336.5893013 337.0022457 338.5606138 340.9793555 343.9999171 347.5838464 351.5670171 355.9559165 360.6619037 365.6293673
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340.3365310 338.8612388 339.2796459 340.8431759 343.2668100 346.2919941 349.8803002 353.8675952 358.2603971 362.9700621 367.9409789
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342.5783182 341.1085906 341.5322805 343.1008019 345.5291660 348.5588184 352.1513550 356.1426360 360.5392092 365.2524279 370.2266811
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344.7962040 343.3318606 343.7606612 345.3340105 347.7669492 350.8009226 354.3975498 358.3926845 362.7929036 367.5095574 372.4870355
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346.9906701 345.5315380 345.9652845 347.5433054 349.9806700 353.0188234 356.6194073 360.6182691 365.0220141 369.7419897 374.7225861
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349.1621845 347.7080981 348.1466326 349.7291754 352.1708234 355.2130219 358.8174343 362.8199022 367.2270582 371.9502471 376.9338597
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351.3112023 349.8620028 350.3051740 351.8920950 354.3378900 357.3840043 360.9921225 364.9980806 369.4085376 374.1348361 379.1213673
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353.4381657 351.9937008 352.4413635 354.0325253 356.4823365 359.5322427 363.1439491 367.1532862 371.5669390 376.2962476 381.2856039
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355.5435045 354.1036281 354.5556432 356.1509138 358.6046159 361.6581952 365.2733770 369.2859869 373.7027345 378.4349579 383.4270497
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357.6276369 356.1922088 356.6484427 358.2476956 360.7051682 363.7623068 367.3808560 371.3966364 375.8163822 380.5514292 385.5461706
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359.6909695 358.2598551 358.7201795 360.3232932 362.7844210 365.8450095 369.4668224 373.4856757 377.9083267 382.6461098 387.6434185
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361.7338980 360.3069679 360.7712597 362.3781176 364.8427897 367.9067233 371.5317004 375.5535325 379.9789999 384.7194350 389.7192321
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363.7568072 362.3339372 362.8020781 364.4125680 366.8806782 369.9478561 373.5759019 377.6006227 382.0288211 386.7718276 391.7740372
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365.7600718 364.3411423 364.8130186 366.4270330 368.8984789 371.9688045 375.5998273 379.6273502 384.0581974 388.8036979 393.8082474
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367.7440563 366.3289525 366.8044549 368.4218903 370.8965737 373.9699540 377.6038655 381.6341074 386.0675247 390.8154449 395.8222644
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369.7091157 368.2977270 368.7767505 370.3975074 372.8753338 375.9516794 379.5883949 383.6212758 388.0571875 392.8074560 397.8164783
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371.6555956 370.2478158 370.7302591 372.3542417 374.8351204 377.9143453 381.5537834 385.5892265 390.0275598 394.7801079 399.7912686
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373.5838327 372.1795594 372.6653252 374.2924414 376.7762849 379.8583065 383.5003888 387.5383201 391.9790051 396.7337667 401.7470037
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375.4941549 374.0932894 374.5822840 376.2124452 378.6991693 381.7839080 385.4285591 389.4689076 393.9118768 398.6687886 403.6840422
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377.3868815 375.9893290 376.4814621 378.1145830 380.6041067 383.6914859 387.3386332 391.3813304 395.8265191 400.5855198 405.6027327
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379.2623240 377.8679929 378.3631776 379.9991758 382.4914211 385.5813671 389.2309408 393.2759208 397.7232664 402.4842973 407.5034142
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381.1207856 379.7295878 380.2277402 381.8665365 384.3614284 387.4538700 391.1058027 395.1530020 399.6024446 404.3654490 409.3864166
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382.9625622 381.5744126 382.0754520 383.7169700 386.2144359 389.3093047 392.9635315 397.0128890 401.4643707 406.2292940 411.2520611
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384.7879420 383.4027587 383.9066071 385.5507732 388.0507432 391.1479733 394.8044316 398.8558884 403.3093534 408.0761430 413.1006602
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386.5972064 385.2149101 385.7214924 387.3682355 389.8706424 392.9701700 396.6287996 400.6822988 405.1376932 409.9062985 414.9325183
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388.3906293 387.0111439 387.5203876 389.1696391 391.6744178 394.7761815 398.4369243 402.4924111 406.9496832 411.7200552 416.7479316
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390.1684785 388.7917301 389.3035652 390.9552590 393.4623468 396.5662875 400.2290873 404.2865088 408.7456085 413.5177001 418.5471888
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|
391.9310149 390.5569323 391.0712912 392.7253634 395.2346999 398.3407602 402.0055629 406.0648681 410.5257472 415.2995129 420.3305713
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393.6784932 392.3070077 392.8238251 394.4802141 396.9917407 400.0998655 403.7666188 407.8277585 412.2903703 417.0657662 422.0983530
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395.4111619 394.0422071 394.5614199 396.2200661 398.7337265 401.8438624 405.5125159 409.5754424 414.0397419 418.8167257 423.8508010
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397.1292638 395.7627754 396.2843227 397.9451685 400.4609081 403.5730037 407.2435085 411.3081760 415.7741198 420.5526504 425.5881759
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398.8330356 397.4689516 397.9927745 399.6557643 402.1735303 405.2875358 408.9598448 413.0262090 417.4937550 422.2737930 427.3107315
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400.5227087 399.1609690 399.6870106 401.3520906 403.8718321 406.9876993 410.6617671 414.7297849 419.1988927 423.9803998 429.0187154
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402.1985090 400.8390557 401.3672608 403.0343789 405.5560467 408.6737292 412.3495116 416.4191417 420.8897719 425.6727111 430.7123693
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403.8606571 402.5034340 403.0337494 404.7028554 407.2264018 410.3458545 414.0233090 418.0945112 422.5666260 427.3509617 432.3919288
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405.5093688 404.1543214 404.6866955 406.3577407 408.8831195 412.0042990 415.6833844 419.7561199 424.2296827 429.0153802 434.0576239
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407.1448545 405.7919303 406.3263131 407.9992504 410.5264172 413.6492812 417.3299577 421.4041890 425.8791642 430.6661902 435.7096790
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408.7673201 407.4164681 407.9528115 409.6275952 412.1565066 415.2810145 418.9632435 423.0389343 427.5152876 432.3036097 437.3483134
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410.3769669 409.0281378 409.5663948 411.2429808 413.7735951 416.8997073 420.5834515 424.6605667 429.1382647 433.9278517 438.9737408
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|
411.9739914 410.6271374 411.1672628 412.8456083 415.3778850 418.5055633 422.1907865 426.2692920 430.7483027 435.5391242 440.5861703
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413.5585861 412.2136608 412.7556107 414.4356742 416.9695741 420.0987815 423.7854487 427.8653115 432.3456037 437.1376303 442.1858060
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415.1309389 413.7878975 414.3316292 416.0133707 418.5488557 421.6795563 425.3676336 429.4488218 433.9303653 438.7235686 443.7728471
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416.6912337 415.3500327 415.8955050 417.5788855 420.1159187 423.2480779 426.9375323 431.0200150 435.5027805 440.2971330 445.3474885
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418.2396504 416.9002475 417.4474205 419.1324022 421.6709480 424.8045319 428.4953317 432.5790788 437.0630380 441.8585131 446.9099205
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419.7763649 418.4387193 418.9875541 420.6741005 423.2141242 426.3491003 430.0412144 434.1261970 438.6113224 443.4078940 448.4603290
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421.3015495 419.9656213 420.5160804 422.2041559 424.7456241 427.8819605 431.5753591 435.6615488 440.1478138 444.9454570 449.9988961
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422.8153725 421.4811234 422.0331702 423.7227404 426.2656203 429.4032865 433.0979405 437.1853100 441.6726887 446.4713791 451.5257995
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424.3179988 422.9853914 423.5389904 425.2300220 427.7742821 430.9132481 434.6091293 438.6976522 443.1861194 447.9858334 453.0412130
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425.8095900 424.4785878 425.0337048 426.7261652 429.2717749 432.4120118 436.1090929 440.1987433 444.6882748 449.4889895 454.5453068
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427.2903038 425.9608718 426.5174733 428.2113311 430.7582605 433.8997403 437.5979946 441.6887476 446.1793198 450.9810130 456.0382470
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428.7602951 427.4323989 427.9904526 429.6856773 432.2338974 435.3765927 439.0759946 443.1678259 447.6594159 452.4620659 457.5201966
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430.2197153 428.8933218 429.4527960 431.1493579 433.6988407 436.8427252 440.5432495 444.6361355 449.1287210 453.9323070 458.9913147
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431.6687127 430.3437896 430.9046539 432.6025240 435.1532423 438.2982901 441.9999126 446.0938305 450.5873899 455.3918915 460.4517570
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433.1074327 431.7839485 432.3461732 434.0453236 436.5972509 439.7434371 443.4461341 447.5410617 452.0355739 456.8409714 461.9016763
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434.5360176 433.2139419 433.7774980 435.4779015 438.0310120 441.1783123 444.8820609 448.9779765 453.4734213 458.2796954 463.3412216
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435.9546068 434.6339100 435.1987695 436.9003996 439.4546682 442.6030590 446.3078369 450.4047197 454.9010771 459.7082093 464.7705393
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437.3633371 436.0439903 436.6101258 438.3129569 440.8683593 444.0178177 447.7236032 451.8214327 456.3186835 461.1266555 466.1897724
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438.7623422 437.4443175 438.0117026 439.7157095 442.2722221 445.4227257 449.1294977 453.2282541 457.7263797 462.5351739 467.5990611
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440.1517536 438.8350236 439.4036324 441.1087908 443.6663907 446.8179178 450.5256559 454.6253199 459.1243019 463.9339013 468.9985428
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441.5316998 440.2162380 440.7860454 442.4923317 445.0509964 448.2035260 451.9122102 456.0127631 460.5125838 465.3229717 470.3883518
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442.9023070 441.5880876 442.1590692 443.8664603 446.4261680 449.5796796 453.2892905 457.3907140 461.8913563 466.7025164 471.7686200
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444.2636988 442.9506967 443.5228287 445.2313023 447.7920318 450.9465054 454.6570242 458.7593005 463.2607476 468.0726642 473.1394765
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445.6159965 444.3041872 444.8774465 446.5869807 449.1487115 452.3041277 456.0155359 460.1186479 464.6208835 469.4335412 474.5010478
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446.9593190 445.6486788 446.2230428 447.9336165 450.4963284 453.6526682 457.3649481 461.4688789 465.9718871 470.7852711 475.8534579
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448.2937829 446.9842886 447.5597355 449.2713279 451.8350015 454.9922465 458.7053806 462.8101139 467.3138792 472.1279749 477.1968284
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449.6195028 448.3111318 448.8876401 450.6002311 453.1648474 456.3229797 460.0369511 464.1424709 468.6469784 473.4617716 478.5312784
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450.9365908 449.6293211 450.2068701 451.9204401 454.4859804 457.6449827 461.3597749 465.4660657 469.9713006 474.7867776 479.8569249
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452.2451570 450.9389672 451.5175366 453.2320666 455.7985130 458.9583680 462.6739650 466.7810117 471.2869599 476.1031072 481.1738824
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453.5453096 452.2401789 452.8197489 454.5352201 457.1025550 460.2632464 463.9796324 468.0874204 472.5940679 477.4108724 482.4822633
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454.8371545 453.5330625 454.1136139 455.8300084 458.3982147 461.5597262 465.2768861 469.3854009 473.8927342 478.7101832 483.7821779
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456.1207959 454.8177229 455.3992369 457.1165369 459.6855979 462.8479138 466.5658327 470.6750604 475.1830662 480.0011475 485.0737342
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457.3963360 456.0942625 456.6767210 458.3949093 460.9648086 464.1279136 467.8465770 471.9565040 476.4651696 481.2838709 486.3570384
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458.6638751 457.3627823 457.9461673 459.6652272 462.2359490 465.3998281 469.1192219 473.2298350 477.7391478 482.5584573 487.6321945
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459.9235115 458.6233812 459.2076753 460.9275904 463.4991192 466.6637580 470.3838684 474.4951546 479.0051023 483.8250086 488.8993048
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461.1753421 459.8761562 460.4613426 462.1820969 464.7544177 467.9198018 471.6406155 475.7525621 480.2631329 485.0836248 490.1584694
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462.4194618 461.1212029 461.7072650 463.4288429 466.0019410 469.1680566 472.8895604 477.0021552 481.5133375 486.3344040 491.4097868
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463.6559638 462.3586149 462.9455365 464.6679229 467.2417839 470.4086175 474.1307986 478.2440296 482.7558121 487.5774425 492.6533536
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464.8849398 463.5884841 464.1762496 465.8994296 468.4740396 471.6415779 475.3644240 479.4782794 483.9906510 488.8128351 493.8892646
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466.1064797 464.8109011 465.3994950 467.1234542 469.6987995 472.8670297 476.5905286 480.7049971 485.2179469 490.0406744 495.1176129
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467.3206718 466.0259545 466.6153619 468.3400862 470.9161533 474.0850630 477.8092028 481.9242731 486.4377908 491.2610518 496.3384900
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468.5276031 467.2337315 467.8239378 469.5494134 472.1261895 475.2957663 479.0205354 483.1361968 487.6502719 492.4740569 497.5519858
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469.7273589 468.4343180 469.0253089 470.7515223 473.3289946 476.4992266 480.2246137 484.3408555 488.8554781 493.6797776 498.7581883
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470.9200230 469.6277980 470.2195595 471.9464977 474.5246538 477.6955293 481.4215234 485.5383352 490.0534956 494.8783003 499.9571842
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472.1056778 470.8142544 471.4067729 473.1344230 475.7132509 478.8847584 482.6113487 486.7287205 491.2444090 496.0697100 501.1490587
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473.2844044 471.9937684 472.5870307 474.3153801 476.8948679 480.0669963 483.7941724 487.9120942 492.4283016 497.2540901 502.3338954
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474.4562823 473.1664201 473.7604131 475.4894497 478.0695858 481.2423243 484.9700758 489.0885380 493.6052551 498.4315226 503.5117764
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475.6213899 474.3322879 474.9269990 476.6567108 479.2374840 482.4108219 486.1391389 490.2581320 494.7753499 499.6020880 504.6827825
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476.7798040 475.4914492 476.0868659 477.8172413 480.3986405 483.5725675 487.3014401 491.4209550 495.9386650 500.7658655 505.8469930
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477.9316003 476.6439799 477.2400902 478.9711177 481.5531322 484.7276381 488.4570567 492.5770844 497.0952780 501.9229330 507.0044860
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479.0768533 477.7899548 478.3867467 480.1184152 482.7010345 485.8761093 489.6060647 493.7265963 498.2452652 503.0733668 508.1553382
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