All pastes #1914539 Raw Edit

naromero

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#1914539 ·published 2010-08-10 16:57 UTC
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  ___ ___ ___ _ _ _   |   |   |_  | | | |  | | | | | . | | | |  |__ |  _|___|_____|  0.8.6882 |___|_|             User: ???@ion-R00-1Date: Tue Aug 10 09:10:25 2010Arch: BGPPid:  100Dir:  /gpaw/lib/python2.6/site-packages/gpawase:   /gpaw/lib/python2.6/site-packages/ase  version:  3.5.0numpy: /gpaw/lib/python2.6/site-packages/numpyunits: Angstrom and eVExtra parameters: {'blacs': 1}Memory estimate---------------Calculator  503.46 MiB    Initial overhead  447.76 MiB    Density  15.22 MiB        Arrays  2.91 MiB        Localized functions  7.85 MiB        Mixer  1.12 MiB        Interpolator  3.33 MiB    Hamiltonian  13.30 MiB        Arrays  1.90 MiB        Restrictor  2.14 MiB        XC 3D grid  0.90 MiB        Poisson  7.76 MiB        vbar  0.61 MiB    Wavefunctions  27.18 MiB        Arrays psit_nG  13.99 MiB        Eigensolver  0.59 MiB        Projectors  0.72 MiB        Overlap op  11.66 MiB        Kinetic operator  0.22 MiBPositions:  0 C    -5.3355   12.2308   15.1137  1 C    -7.1982    8.4226    4.5028  2 C    -7.0704    3.3876    7.0037  3 C    -7.1014    4.6083    6.3974  4 C    -7.1672    7.2019    5.1091  5 C    -3.2726   10.9722    9.4352  6 C    -3.1448    5.9373   11.9361  7 C    -3.1758    7.1579   11.3298  8 C    -3.2416    9.7516   10.0415  9 C    -2.2513    8.1882   14.7488 10 C    -8.3330   14.4623    2.2838 11 C    -2.2834    9.4098   14.1428 12 C    -2.3481   12.0024   12.8542 13 C    -8.1071    5.5599    6.7059 14 C    -8.1393    6.8337    6.0730 15 C    -6.1768    5.6385    9.8163 16 C    -4.4074   17.0120    7.2163 17 C    -6.2090    6.8602    9.2104 18 C    -6.2737    9.4528    7.9217 19 C    -4.1815    8.1095   11.6384 20 C    -4.2137    9.3834   11.0055 21 C    -9.1937    9.0388    5.7723 22 C    -9.3550   15.3929    2.6162 23 C    -3.2219    7.8221   15.7105 24 C    -9.0968    5.2246    7.6669 25 C    -9.1613    7.7643    6.4054 26 C    -3.2866   10.3583   14.4510 27 C    -3.3187   11.6364   13.8159 28 C    -5.2681   11.5885   10.7048 29 C    -5.4294   17.9425    7.5486 30 C    -7.1475    5.2724   10.7781 31 C    -5.1712    7.7742   12.5994 32 C    -5.2357   10.3140   11.3378 33 C    -7.2122    7.8087    9.5185 34 C    -7.2443    9.0867    8.8835 35 C    -4.2434    8.7495   16.0441 36 C   -10.3483   15.0550    3.5814 37 C    -4.2764   10.0243   15.4114 38 C    -4.3402   12.5638   14.1495 39 C   -10.1221    6.1581    8.0003 40 C   -10.1546    7.4264    7.3706 41 C    -8.1690    6.1998   11.1116 42 C    -6.4228   17.6047    8.5139 43 C    -8.2020    7.4747   10.4790 44 C    -8.2658   10.0141    9.2171 45 C    -6.1965    8.7078   12.9328 46 C    -6.2291    9.9761   12.3031 47 C   -11.2110    9.6308    7.0718 48 C   -11.3727   15.9926    3.9120 49 C    -5.2377    8.4113   17.0103 50 C   -11.1141    5.8165    8.9664 51 C   -11.1790    8.3640    7.7012 52 C    -5.3026   10.9588   15.7450 53 C    -7.2854   12.1804   12.0043 54 C    -7.4471   18.5422    8.8445 55 C    -9.1633    5.8616   12.0778 56 C    -7.1886    8.3662   13.8989 57 C    -7.2534   10.9137   12.6337 58 C    -9.2281    8.4091   10.8126 59 C    -9.2601    9.6759   10.1832 60 C    -6.2620    9.3488   17.3409 61 C   -12.3670   15.6544    4.8782 62 C    -6.2946   10.6172   16.7111 63 C    -6.3589   13.1631   15.4463 64 C   -12.1402    6.7510    9.3000 65 C   -12.1733    8.0258    8.6674 66 C   -10.1876    6.7992   12.4084 67 C    -8.4414   18.2040    9.8106 68 C   -10.2202    8.0675   11.7787 69 C   -10.2844   10.6135   10.5138 70 C    -8.2147    9.3006   14.2325 71 C    -8.2477   10.5754   13.5998 72 C   -13.2269   10.2313    8.3659 73 C   -13.3885   16.5817    5.2118 74 C    -7.2554    9.0110   18.3061 75 C   -13.1301    6.4170   10.2605 76 C   -13.1948    8.9532    9.0009 77 C    -7.3199   11.5507   17.0446 78 C    -7.3522   12.8252   16.4115 79 C    -9.3014   12.7809   13.2983 80 C    -9.4629   19.1314   10.1442 81 C   -11.1810    6.4613   13.3737 82 C    -9.2045    8.9666   15.1929 83 C    -9.2692   11.5028   13.9334 84 C   -11.2454    9.0011   12.1121 85 C   -11.2778   10.2756   11.4791 86 C    -8.2774    9.9415   18.6384 87 C   -14.3591   16.2157    6.1735 88 C    -8.3096   11.2154   18.0056 89 C    -8.3742   13.7558   16.7439 90 C   -14.1333    7.3654   10.5686 91 C   -14.1654    8.5871    9.9627 92 C   -12.2030    7.3919   13.7060 93 C   -10.4335   18.7653   11.1060 94 C   -12.2351    8.6658   13.0731 95 C   -12.2998   11.2062   11.8114 96 C   -10.2077    9.9151   15.5011 97 C   -10.2399   11.1368   14.8951 98 C    -9.5400   21.0162   13.9186 99 C    -9.3153   12.1670   18.3141100 C   -13.4656   18.4666    8.9862101 C   -13.2409    9.6174   13.3816102 C   -13.2719   10.8380   12.7754103 C    -7.2640   11.0162    3.2145104 C    -7.2950   12.2368    2.6082105 C    -3.3385   13.5659    8.1469106 C    -3.3695   14.7865    7.5406107 C    -2.3802   13.2241   12.2483108 C    -2.4449   15.8167   10.9596109 C    -8.2039    9.3741    4.8113110 C    -8.2361   10.6480    4.1784111 C    -2.4771   17.0384   10.3537112 C    -8.3008   13.1884    2.9167113 C    -6.3058   10.6745    7.3158114 C    -6.3705   13.2671    6.0272115 C    -4.2784   11.9238    9.7438116 C    -4.3105   13.1977    9.1109117 C    -6.4026   14.4888    5.4212118 C    -4.3752   15.7381    7.8492119 C    -9.2581   11.5786    4.5108120 C    -3.3834   14.1726   12.5564121 C    -3.4156   15.4507   11.9213122 C    -9.2905   12.8531    3.8777123 C    -3.4803   17.9869   10.6618124 C    -5.3325   14.1283    9.4432125 C    -7.3090   11.6229    7.6239126 C    -7.3412   12.9010    6.9889127 C    -5.3649   15.4028    8.8102128 C    -7.4058   15.4372    5.7294129 C    -4.3733   13.8386   13.5169130 C    -4.4371   16.3781   12.2549131 C   -10.2189    9.9724    6.1057132 C   -10.2515   11.2407    5.4760133 C    -4.4701   17.6529   11.6223134 C   -10.3158   13.7867    4.2112135 C    -8.2989   11.2889    8.5844136 C    -8.3626   13.8284    7.3225137 C    -6.2934   12.5220   11.0382138 C    -6.3259   13.7904   10.4085139 C    -8.3957   15.1032    6.6898140 C    -6.3902   16.3363    9.1436141 C   -11.2758   12.1783    5.8066142 C    -5.3994   14.7731   13.8505143 C    -5.4314   16.0398   13.2211144 C   -11.3078   13.4451    5.1773145 C    -5.4962   18.5873   11.9559146 C    -7.3503   14.7280   10.7391147 C    -9.3250   12.2234    8.9180148 C    -9.3569   13.4902    8.2886149 C    -7.3822   15.9947   10.1097150 C    -9.4218   16.0377    7.0234151 C    -6.3914   14.4315   14.8166152 C    -6.4557   16.9774   13.5517153 C   -12.2371   10.5653    7.4054154 C   -12.2701   11.8401    6.7728155 C    -6.4883   18.2457   12.9220156 C   -12.3339   14.3795    5.5109157 C   -10.3170   11.8818    9.8841158 C   -10.3813   14.4278    8.6192159 C    -8.3115   13.1149   12.3379160 C    -8.3445   14.3897   11.7052161 C   -10.4138   15.6961    7.9895162 C    -8.4083   16.9292   10.4433163 C   -13.2916   12.7675    7.1064164 C    -7.4167   15.3650   15.1500165 C    -7.4491   16.6395   14.5169166 C   -13.3238   14.0455    6.4713167 C    -7.5135   19.1793   13.2554168 C    -9.3660   15.3171   12.0388169 C   -11.3423   12.8154   10.2175170 C   -11.3747   14.0899    9.5845171 C    -9.3982   16.5952   11.4038172 C   -11.4391   16.6296    8.3229173 C    -8.4064   15.0297   16.1110174 C    -8.4711   17.5701   14.8493175 C   -14.2301   11.1797    8.6740176 C   -14.2623   12.4014    8.0681177 C    -8.5032   18.8440   14.2164178 C   -14.3270   14.9940    6.7794179 C   -12.3320   12.4801   11.1785180 C   -12.3967   15.0205    9.9168181 C   -10.3046   13.7294   13.6065182 C   -10.3367   14.9511   13.0006183 C   -12.4288   16.2943    9.2839184 C   -10.4014   17.5437   11.7119185 C    -9.4121   15.9813   16.4195186 C    -9.4431   17.2019   15.8132187 C    -9.5090   19.7956   14.5249188 C   -13.3377   13.4316   11.4871189 C   -13.3687   14.6523   10.8808190 C   -13.4346   17.2459    9.5925191 C   -17.8953   19.2831   18.7685192 C   -17.9237   15.6247    6.7797193 C   -13.8822   18.1010   16.2886194 C   -21.9368   16.8068    9.2596195 C   -13.8311   12.4733   19.2271196 C   -13.2523   15.1282   17.4024197 C   -17.2654   16.3103   19.8824198 C   -21.8856   11.1792   12.1981199 C   -17.8441   13.6555   21.7070200 C   -17.2938   12.6519    7.8935201 C   -17.8726    9.9970    9.7182202 C   -21.3069   13.8340   10.3735203 C   -13.4917   20.9434   14.6572204 C   -17.5047   22.1255   17.1371205 C   -17.2426    7.0243   10.8321206 C   -21.2557    8.2064   13.3120207 C   -13.7351   17.1967   12.1114208 C   -17.8015   18.3032   14.5389209 C   -13.1110   14.2028   13.1704210 C   -17.1773   15.3092   15.5979211 C   -17.7771   12.6112   17.3510212 C   -13.7107   11.5047   14.9236213 C   -17.1529    9.6172   18.4101214 C   -13.0866    8.5108   15.9826215 C   -17.3396    8.2679   14.9824216 C   -21.3273    9.5109   17.4735217 C   -17.9569   11.2297   13.8329218 C   -21.9446   12.4728   16.3239219 C   -17.3727   13.8558   11.9687220 C   -21.3604   15.0988   14.4597221 C   -17.9901   16.8176   10.8191222 C    -6.5698   14.1361    1.0492223 C    -6.3331    4.8408    5.6658224 C    -6.3761    6.5075    4.8384225 C    -2.6442   16.6857    5.9817226 C    -2.4076    7.3904   10.5982227 C    -2.4505    9.0572    9.7708228 C    -5.3859    4.9472    9.5442229 C    -5.4426    7.0968    8.4782230 C    -5.4828    8.7615    7.6496231 C    -1.4603    7.4969   14.4766232 C    -1.5171    9.6465   13.4106233 C    -1.5572   11.3112   12.5821234 C    -6.4300    8.6551    3.7712235 C    -6.4729   10.3218    2.9438236 C    -6.5268   12.4693    1.8766237 C    -2.5044   11.2047    8.7036238 C    -2.5473   12.8714    7.8762239 C    -2.6012   15.0190    6.8091240 C    -5.5395   10.9111    6.5836241 C    -5.5796   12.5758    5.7550242 C    -5.6363   14.7254    4.6890243 C    -1.6139   13.4608   11.5160244 C    -1.6540   15.1255   10.6875245 C    -1.7107   17.2751    9.6215246 C   -21.9778   18.0606   13.3102247 C   -17.9621   18.5144   17.7168248 C   -14.9389   18.3900   16.9493249 C   -10.1394   19.9553   15.5929250 C   -13.9490   17.3322   15.2368251 C   -10.9258   17.2079   14.4693252 C   -12.7372   18.5810   16.6811253 C   -22.9935   17.0958    9.9203254 C   -16.7503   19.7631   19.1610255 C   -14.1524   21.1374   18.0728256 C   -18.9804   15.9137    7.4404257 C   -16.7787   16.1047    7.1722258 C   -20.7918   17.2868    9.6521259 C   -13.8979   11.7046   18.1754260 C   -12.1956   14.8392   16.7417261 C   -14.3973   14.6481   17.0099262 C   -10.8747   11.5802   17.4079263 C   -13.1855   15.8969   18.4542264 C   -17.1986   17.0790   20.9341265 C   -14.1013   15.5098   21.0113266 C   -17.9109   12.8867   20.6553267 C   -20.2502   13.5450    9.7127268 C   -16.2087   16.0213   19.2216269 C   -14.6007   18.4533   19.8458270 C   -18.4104   15.8303   19.4898271 C   -14.8877   12.7624   19.8878272 C   -18.9292   10.2861   10.3789273 C   -12.6861   12.9534   19.6196274 C   -16.6991   14.1355   22.0995275 C   -17.2270   13.4206    8.9453276 C   -10.0882   14.3276   18.5314277 C   -10.5877   17.2711   17.3659278 C   -16.7276   10.4771   10.1107279 C   -21.2401   14.6027   11.4252280 C   -24.2633   14.7271   12.1927281 C   -22.9423   11.4682   12.8588282 C   -20.7406   11.6592   12.5906283 C   -16.4481   21.8365   16.4764284 C   -18.6498   21.6455   16.7446285 C   -13.4249   21.7121   15.7089286 C   -12.4350   20.6544   13.9965287 C   -10.5365   11.6435   20.3044288 C   -14.6367   20.4634   14.2647289 C   -17.4380   22.8943   18.1888290 C   -24.2121    9.0995   15.1312291 C   -17.1759    7.7930   11.8838292 C   -21.1889    8.9751   14.3637293 C   -20.1991    7.9174   12.6513294 C   -14.5496   12.8256   22.7844295 C   -17.8439   17.5580   13.4691296 C   -13.7775   16.4515   11.0416297 C   -14.8059   17.4657   12.7578298 C   -18.8722   18.5721   15.1853299 C   -12.6005   17.6734   12.5367300 C   -16.6668   18.7798   14.9642301 C   -17.1349   16.0544   16.6676302 C   -13.0686   14.9479   14.2402303 C   -16.1066   15.0403   14.9515304 C   -20.1730   16.1467   17.3789305 C   -18.3120   14.8325   15.1726306 C   -14.2457   13.7261   12.7451307 C   -13.7531   10.7595   13.8538308 C   -17.8195   11.8660   16.2813309 C   -18.8478   12.8801   17.9974310 C   -14.7814   11.7737   15.5700311 C   -12.5760   11.9814   15.3489312 C   -16.6424   13.0879   17.7764313 C   -17.1105   10.3624   19.4798314 C   -20.1486   10.4547   20.1911315 C   -18.2876    9.1405   17.9847316 C   -14.2212    8.0341   15.5573317 C   -16.0822    9.3483   17.7637318 C   -13.0442    9.2560   17.0524319 C   -16.2895    7.9628   14.3185320 C   -18.4905    7.7906   14.6042321 C   -17.2603    9.0502   16.0232322 C   -21.2480   10.2932   18.5142323 C   -20.2772    9.2058   16.8095324 C   -22.4782    9.0336   17.0953325 C   -18.0362   10.4474   12.7921326 C   -15.0193   10.2919   12.0058327 C   -16.8060   11.7071   14.2111328 C   -19.0070   11.5349   14.4968329 C   -20.7937   12.9501   16.7021330 C   -22.0239   11.6904   15.2831331 C   -16.3226   13.5506   11.3047332 C   -18.5237   13.3784   11.5905333 C   -17.2934   14.6381   13.0095334 C   -20.3103   14.7936   13.7958335 C   -22.5114   14.6214   14.0815336 C   -21.2811   15.8811   15.5005337 C   -15.0525   15.8797    8.9920338 C   -18.0694   16.0353    9.7784339 C   -19.0402   17.1227   11.4831340 C   -16.8391   17.2950   11.1973341 C   -20.8268   18.5380   13.6884342 C   -22.0570   17.2783   12.2694343 C   -12.6348   16.6368   13.9842344 C   -16.6479   17.8190   16.4641345 C   -14.9834   19.4901   18.4915346 C   -12.8383   20.4420   16.8201347 C   -10.9703   18.3079   16.0116348 C   -16.8513   21.6241   19.3001349 C   -23.0379   18.1959   11.4625350 C   -19.0249   17.0138    8.9826351 C   -12.5837   11.0092   16.9227352 C   -16.5967   12.1913   19.4026353 C   -10.9192   12.6803   18.9501354 C   -12.1512   13.7391   15.1995355 C   -12.7871   14.8144   19.7587356 C   -16.8002   15.9965   22.2386357 C   -14.9322   13.8624   21.4300358 C   -18.9737   11.3861   11.9211359 C   -14.4997   16.5923   19.7068360 C   -16.1642   14.9212   17.6794361 C   -10.4866   15.4102   17.2269362 C   -12.3546   17.5442   18.0354363 C   -22.9868   12.5683   14.4011364 C   -22.5543   15.2981   12.6778365 C   -16.3677   18.7264   20.5153366 C   -18.5412   14.1160   10.1979367 C   -10.7260   21.2254   14.4816368 C   -16.4036   20.7365   14.9342369 C   -12.3905   19.5543   12.4542370 C   -18.4901    8.4884   13.1364371 C   -14.7391   22.4075   16.9615372 C   -16.3165   13.0987   23.4539373 C   -12.3034   11.9166   20.9739374 C   -22.5031    9.6705   15.6163375 C   -20.5685   18.0038   14.6544376 C   -16.5021   16.8973   12.2269377 C   -14.8859   18.5305   14.3231378 C   -18.9523   19.6369   16.7506379 C   -18.4767   16.7150   17.9098380 C   -14.4104   15.6086   15.4823381 C   -20.0929   15.0818   15.8136382 C   -16.0266   13.9754   13.3861383 C   -16.4777   11.2054   15.0391384 C   -20.5441   12.3118   17.4666385 C   -14.8615   12.8385   17.1353386 C   -18.9278   13.9450   19.5628387 C   -18.4523   11.0230   20.7220388 C   -20.0685    9.3898   18.6258389 C   -16.0021    8.2834   16.1983390 C   -14.3859    9.9166   18.2945391 C   -14.5734    8.5284   14.7842392 C   -16.2632    6.8418   12.7910393 C   -20.2509    8.0848   15.2820394 C   -18.5611    9.7715   17.2753395 C   -16.7355    9.7262   11.5400396 C   -15.0457   11.4129   13.5333397 C   -19.0334   12.6559   16.0243398 C   -20.7232   10.9692   14.0311399 C   -14.6065   14.1163   11.7705400 C   -16.2963   12.4296    9.7772401 C   -18.5942   15.3593   14.2615402 C   -20.2840   13.6727   12.2683403 C   -16.7686   15.3140    8.5263404 C   -15.0788   17.0007   10.5196405 C   -19.0665   18.2437   13.0106406 C     2.5156   17.3301   24.9786407 C     0.6529   13.5219   14.3677408 C     0.7808    8.4869   16.8686409 C     0.7498    9.7076   16.2623410 C     0.6839   12.3012   14.9740411 C     4.5785   16.0715   19.3002412 C     4.7063   11.0366   21.8010413 C     4.6753   12.2572   21.1947414 C     4.6095   14.8509   19.9064415 C     5.5999   13.2875   24.6137416 C    -0.4818   19.5616   12.1488417 C     5.5678   14.5092   24.0078418 C     5.5031   17.1018   22.7191419 C    -0.2560   10.6592   16.5708420 C    -0.2881   11.9331   15.9379421 C     1.6743   10.7378   19.6812422 C     3.4438   22.1113   17.0812423 C     1.6422   11.9595   19.0753424 C     1.5775   14.5521   17.7867425 C     3.6696   13.2088   21.5033426 C     3.6374   14.4827   20.8704427 C    -1.3425   14.1381   15.6372428 C    -1.5038   20.4922   12.4811429 C     4.6292   12.9214   25.5754430 C    -1.2457   10.3239   17.5318431 C    -1.3101   12.8636   16.2703432 C     4.5646   15.4576   24.3159433 C     4.5324   16.7357   23.6808434 C     2.5831   16.6878   20.5697435 C     2.4218   23.0419   17.4136436 C     0.7037   10.3718   20.6430437 C     2.6799   12.8735   22.4643438 C     2.6154   15.4133   21.2027439 C     0.6390   12.9080   19.3834440 C     0.6068   14.1860   18.7484441 C     3.6077   13.8488   25.9090442 C    -2.4972   20.1543   13.4464443 C     3.5747   15.1236   25.2764444 C     3.5109   17.6631   24.0144445 C    -2.2710   11.2574   17.8652446 C    -2.3035   12.5257   17.2355447 C    -0.3178   11.2992   20.9766448 C     1.4284   22.7040   18.3788449 C    -0.3509   12.5740   20.3439450 C    -0.4147   15.1134   19.0820451 C     1.6546   13.8071   22.7977452 C     1.6221   15.0754   22.1680453 C    -3.3598   14.7301   16.9368454 C    -3.5215   21.0919   13.7770455 C     2.6135   13.5106   26.8752456 C    -3.2630   10.9158   18.8313457 C    -3.3279   13.4633   17.5661458 C     2.5486   16.0581   25.6100459 C     0.5658   17.2798   21.8692460 C     0.4040   23.6416   18.7094461 C    -1.3121   10.9609   21.9427462 C     0.6626   13.4655   23.7638463 C     0.5977   16.0130   22.4986464 C    -1.3770   13.5084   20.6775465 C    -1.4089   14.7752   20.0481466 C     1.5891   14.4482   27.2058467 C    -4.5158   20.7537   14.7431468 C     1.5566   15.7165   26.5761469 C     1.4923   18.2624   25.3112470 C    -4.2891   11.8503   19.1649471 C    -4.3221   13.1251   18.5323472 C    -2.3365   11.8985   22.2733473 C    -0.5903   23.3033   19.6756474 C    -2.3690   13.1668   21.6436475 C    -2.4333   15.7128   20.3787476 C    -0.3635   14.3999   24.0974477 C    -0.3966   15.6747   23.4647478 C    -5.3758   15.3306   18.2308479 C    -5.5373   21.6811   15.0767480 C     0.5957   14.1103   28.1710481 C    -5.2790   11.5163   20.1254482 C    -5.3436   14.0525   18.8659483 C     0.5313   16.6500   26.9095484 C     0.4989   17.9246   26.2764485 C    -1.4502   17.8802   23.1633486 C    -1.6117   24.2307   20.0091487 C    -3.3298   11.5606   23.2386488 C    -1.3534   14.0659   25.0579489 C    -1.4181   16.6021   23.7983490 C    -3.3943   14.1004   21.9770491 C    -3.4267   15.3749   21.3440492 C    -0.4263   15.0408   28.5034493 C    -6.5080   21.3150   16.0384494 C    -0.4584   16.3147   27.8705495 C    -0.5231   18.8551   26.6088496 C    -6.2822   12.4647   20.4335497 C    -6.3143   13.6864   19.8276498 C    -4.3518   12.4912   23.5709499 C    -2.5824   23.8647   20.9709500 C    -4.3840   13.7651   22.9380501 C    -4.4487   16.3055   21.6763502 C    -2.3566   15.0144   25.3660503 C    -2.3887   16.2361   24.7601504 C    -1.6889   26.1155   23.7836505 C    -1.4642   17.2663   28.1790506 C    -5.6144   23.5659   18.8511507 C    -5.3897   14.7167   23.2466508 C    -5.4207   15.9373   22.6403509 C     0.5871   16.1155   13.0794510 C     0.5561   17.3361   12.4731511 C     4.5127   18.6652   18.0119512 C     4.4817   19.8858   17.4056513 C     5.4709   18.3234   22.1132514 C     5.4062   20.9160   20.8245515 C    -0.3528   14.4734   14.6762516 C    -0.3850   15.7473   14.0433517 C     5.3741   22.1377   20.2186518 C    -0.4496   18.2877   12.7817519 C     1.5454   15.7738   17.1807520 C     1.4806   18.3664   15.8921521 C     3.5728   17.0231   19.6087522 C     3.5406   18.2970   18.9758523 C     1.4485   19.5881   15.2861524 C     3.4759   20.8374   17.7141525 C    -1.4070   16.6779   14.3757526 C     4.4677   19.2719   22.4213527 C     4.4356   20.5500   21.7863528 C    -1.4393   17.9524   13.7427529 C     4.3709   23.0862   20.5267530 C     2.5186   19.2276   19.3081531 C     0.5421   16.7223   17.4889532 C     0.5100   18.0003   16.8538533 C     2.4862   20.5021   18.6751534 C     0.4453   20.5365   15.5943535 C     3.4779   18.9379   23.3818536 C     3.4141   21.4774   22.1198537 C    -2.3678   15.0717   15.9707538 C    -2.4003   16.3400   15.3409539 C     3.3810   22.7522   21.4872540 C    -2.4646   18.8860   14.0761541 C    -0.4477   16.3882   18.4493542 C    -0.5115   18.9277   17.1874543 C     1.5578   17.6214   20.9031544 C     1.5252   18.8897   20.2734545 C    -0.5445   20.2025   16.5547546 C     1.4609   21.4356   19.0085547 C    -3.4247   17.2776   15.6715548 C     2.4518   19.8724   23.7154549 C     2.4198   21.1391   23.0860550 C    -3.4567   18.5444   15.0422551 C     2.3549   23.6867   21.8208552 C     0.5009   19.8273   20.6040553 C    -1.4738   17.3227   18.7829554 C    -1.5058   18.5895   18.1535555 C     0.4689   21.0940   19.9746556 C    -1.5707   21.1370   16.8883557 C     1.4597   19.5308   24.6815558 C     1.3954   22.0767   23.4166559 C    -4.3859   15.6646   17.2704560 C    -4.4190   16.9394   16.6377561 C     1.3629   23.3451   22.7869562 C    -4.4828   19.4789   15.3758563 C    -2.4658   16.9811   19.7490564 C    -2.5301   19.5271   18.4841565 C    -0.4604   18.2142   22.2028566 C    -0.4934   19.4890   21.5702567 C    -2.5627   20.7954   17.8544568 C    -0.5572   22.0285   20.3082569 C    -5.4405   17.8668   16.9713570 C     0.4344   20.4643   25.0149571 C     0.4021   21.7388   24.3819572 C    -5.4726   19.1448   16.3362573 C     0.3376   24.2786   23.1203574 C    -1.5149   20.4164   21.9037575 C    -3.4911   17.9147   20.0824576 C    -3.5235   19.1892   19.4494577 C    -1.5471   21.6945   21.2687578 C    -3.5880   21.7290   18.1878579 C    -0.5553   20.1290   25.9759580 C    -0.6199   22.6694   24.7142581 C    -6.3790   16.2790   18.5389582 C    -6.4111   17.5007   17.9330583 C    -0.6521   23.9433   24.0813584 C    -6.4758   20.0933   16.6444585 C    -4.4808   17.5794   21.0434586 C    -4.5455   20.1198   19.7817587 C    -2.4534   18.8287   23.4714588 C    -2.4855   20.0504   22.8655589 C    -4.5777   21.3937   19.1488590 C    -2.5503   22.6430   21.5768591 C    -1.5610   21.0806   26.2844592 C    -1.5920   22.3012   25.6781593 C    -1.6578   24.8949   24.3898594 C    -5.4866   18.5310   21.3520595 C    -5.5176   19.7516   20.7457596 C    -5.5834   22.3452   19.4574597 C   -10.0442   24.3824   28.6334598 C   -10.0726   20.7240   16.6446599 C    -6.0311   23.2003   26.1535600 C   -14.0857   21.9061   19.1245601 C    -5.9799   17.5726   29.0920602 C    -5.4012   20.2275   27.2673603 C    -9.4142   21.4096   29.7473604 C   -14.0345   16.2785   22.0630605 C    -9.9930   18.7548   31.5719606 C    -9.4427   17.7512   17.7585607 C   -10.0214   15.0963   19.5831608 C   -13.4557   18.9333   20.2384609 C    -5.6405   26.0427   24.5221610 C    -9.6536   27.2249   27.0020611 C    -9.3915   12.1236   20.6970612 C   -13.4046   13.3057   23.1769613 C    -5.8840   22.2960   21.9763614 C    -9.9503   23.4025   24.4038615 C    -5.2598   19.3021   23.0353616 C    -9.3262   20.4085   25.4628617 C    -9.9259   17.7105   27.2160618 C    -5.8596   16.6040   24.7885619 C    -9.3018   14.7165   28.2750620 C    -5.2354   13.6101   25.8475621 C    -9.4884   13.3672   24.8473622 C   -13.4761   14.6103   27.3384623 C   -10.1058   16.3290   23.6978624 C   -14.0935   17.5721   26.1888625 C    -9.5216   18.9551   21.8336626 C   -13.5093   20.1981   24.3246627 C   -10.1389   21.9169   20.6840628 C     1.2814   19.2354   10.9141629 C     1.5180    9.9401   15.5307630 C     1.4751   11.6068   14.7033631 C     5.2070   21.7850   15.8466632 C     5.4436   12.4897   20.4631633 C     5.4007   14.1565   19.6358634 C     2.4652   10.0466   19.4091635 C     2.4085   12.1961   18.3431636 C     2.3684   13.8608   17.5145637 C     6.3908   12.5962   24.3416638 C     6.3341   14.7458   23.2755639 C     6.2940   16.4105   22.4470640 C     1.4212   13.7544   13.6361641 C     1.3782   15.4211   12.8087642 C     1.3243   17.5687   11.7415643 C     5.3467   16.3040   18.5686644 C     5.3038   17.9708   17.7412645 C     5.2499   20.1183   16.6740646 C     2.3117   16.0104   16.4485647 C     2.2716   17.6751   15.6199648 C     2.2148   19.8247   14.5539649 C     6.2373   18.5601   21.3810650 C     6.1971   20.2248   20.5524651 C     6.1404   22.3744   19.4864652 C   -14.1266   23.1599   23.1751653 C   -10.1109   23.6137   27.5817654 C    -7.0878   23.4893   26.8142655 C    -2.2882   25.0546   25.4578656 C    -6.0979   22.4316   25.1017657 C    -3.0747   22.3072   24.3343658 C    -4.8861   23.6803   26.5460659 C   -15.1423   22.1951   19.7852660 C    -8.8991   24.8625   29.0259661 C    -6.3013   26.2367   27.9377662 C   -11.1293   21.0130   17.3053663 C    -8.9276   21.2040   17.0371664 C   -12.9406   22.3862   19.5170665 C    -6.0467   16.8039   28.0403666 C    -4.3445   19.9385   26.6066667 C    -6.5462   19.7475   26.8748668 C    -3.0235   16.6796   27.2728669 C    -5.3344   20.9962   28.3191670 C    -9.3474   22.1784   30.7990671 C    -6.2501   20.6091   30.8762672 C   -10.0598   17.9861   30.5202673 C   -12.3991   18.6443   19.5777674 C    -8.3576   21.1206   29.0865675 C    -6.7496   23.5526   29.7108676 C   -10.5592   20.9296   29.3547677 C    -7.0366   17.8617   29.7527678 C   -11.0781   15.3854   20.2438679 C    -4.8349   18.0527   29.4845680 C    -8.8480   19.2348   31.9644681 C    -9.3759   18.5199   18.8102682 C    -2.2371   19.4269   28.3963683 C    -2.7365   22.3705   27.2308684 C    -8.8764   15.5764   19.9756685 C   -13.3889   19.7020   21.2901686 C   -16.4121   19.8264   22.0576687 C   -15.0912   16.5675   22.7237688 C   -12.8895   16.7585   22.4555689 C    -8.5969   26.9358   26.3413690 C   -10.7986   26.7448   26.6095691 C    -5.5737   26.8115   25.5738692 C    -4.5839   25.7537   23.8614693 C    -2.6854   16.7428   30.1694694 C    -6.7856   25.5627   24.1296695 C    -9.5868   27.9936   28.0538696 C   -16.3610   14.1988   24.9961697 C    -9.3247   12.8923   21.7487698 C   -13.3378   14.0744   24.2286699 C   -12.3479   13.0167   22.5162700 C    -6.6984   17.9250   32.6493701 C    -9.9927   22.6573   23.3340702 C    -5.9264   21.5508   20.9065703 C    -6.9547   22.5650   22.6227704 C   -11.0211   23.6714   25.0502705 C    -4.7493   22.7727   22.4016706 C    -8.8157   23.8792   24.8291707 C    -9.2838   21.1537   26.5326708 C    -5.2174   20.0473   24.1051709 C    -8.2555   20.1396   24.8164710 C   -12.3218   21.2460   27.2439711 C   -10.4609   19.9318   25.0375712 C    -6.3945   18.8254   22.6100713 C    -5.9020   15.8589   23.7187714 C    -9.9683   16.9653   26.1462715 C   -10.9966   17.9794   27.8624716 C    -6.9303   16.8730   25.4349717 C    -4.7249   17.0807   25.2138718 C    -8.7912   18.1872   27.6413719 C    -9.2594   15.4617   29.3448720 C   -12.2974   15.5540   30.0561721 C   -10.4364   14.2398   27.8497722 C    -6.3701   13.1334   25.4222723 C    -8.2310   14.4476   27.6286724 C    -5.1930   14.3553   26.9173725 C    -8.4384   13.0621   24.1834726 C   -10.6394   12.8899   24.4691727 C    -9.4092   14.1495   25.8881728 C   -13.3969   15.3926   28.3792729 C   -12.4261   14.3051   26.6744730 C   -14.6271   14.1329   26.9602731 C   -10.1851   15.5467   22.6570732 C    -7.1682   15.3912   21.8707733 C    -8.9549   16.8064   24.0760734 C   -11.1559   16.6342   24.3617735 C   -12.9425   18.0494   26.5670736 C   -14.1728   16.7898   25.1480737 C    -8.4715   18.6499   21.1697738 C   -10.6725   18.4777   21.4554739 C    -9.4423   19.7374   22.8744740 C   -12.4592   19.8929   23.6607741 C   -14.6602   19.7207   23.9464742 C   -13.4300   20.9804   25.3654743 C    -7.2013   20.9790   18.8569744 C   -10.2182   21.1346   19.6433745 C   -11.1890   22.2221   21.3480746 C    -8.9880   22.3943   21.0623747 C   -12.9757   23.6373   23.5533748 C   -14.2059   22.3776   22.1343749 C    -4.7837   21.7362   23.8491750 C    -8.7968   22.9183   26.3290751 C    -7.1322   24.5894   28.3564752 C    -4.9871   25.5413   26.6851753 C    -3.1192   23.4072   25.8765754 C    -9.0002   26.7234   29.1650755 C   -15.1868   23.2952   21.3274756 C   -11.1737   22.1131   18.8475757 C    -4.7325   16.1085   26.7876758 C    -8.7456   17.2907   29.2676759 C    -3.0680   17.7796   28.8150760 C    -4.3000   18.8384   25.0644761 C    -4.9360   19.9137   29.6236762 C    -8.9490   21.0958   32.1035763 C    -7.0811   18.9617   31.2949764 C   -11.1226   16.4854   21.7860765 C    -6.6486   21.6916   29.5717766 C    -8.3131   20.0205   27.5443767 C    -2.6355   20.5095   27.0918768 C    -4.5034   22.6435   27.9003769 C   -15.1356   17.6676   24.2660770 C   -14.7031   20.3974   22.5427771 C    -8.5165   23.8257   30.3803772 C   -10.6901   19.2153   20.0628773 C    -2.8749   26.3247   24.3465774 C    -8.5525   25.8358   24.7991775 C    -4.5394   24.6536   22.3192776 C   -10.6389   13.5877   23.0013777 C    -6.8879   27.5069   26.8265778 C    -8.4653   18.1980   33.3188779 C    -4.4523   17.0159   30.8389780 C   -14.6520   14.7698   25.4812781 C   -12.7173   23.1031   24.5193782 C    -8.6510   21.9967   22.0918783 C    -7.0348   23.6298   24.1880784 C   -11.1011   24.7362   26.6155785 C   -10.6256   21.8143   27.7747786 C    -6.5592   20.7079   25.3473787 C   -12.2418   20.1811   25.6785788 C    -8.1754   19.0747   23.2511789 C    -8.6265   16.3047   24.9040790 C   -12.6929   17.4111   27.3315791 C    -7.0103   17.9378   27.0002792 C   -11.0767   19.0443   29.4277793 C   -10.6011   16.1223   30.5869794 C   -12.2174   14.4891   28.4907795 C    -8.1510   13.3827   26.0632796 C    -6.5348   15.0159   28.1594797 C    -6.7222   13.6277   24.6491798 C    -8.4120   11.9411   22.6559799 C   -12.3997   13.1841   25.1469800 C   -10.7099   14.8708   27.1402801 C    -8.8843   14.8255   21.4050802 C    -7.1945   16.5122   23.3982803 C   -11.1822   17.7552   25.8893804 C   -12.8720   16.0685   23.8960805 C    -6.7553   19.2156   21.6354806 C    -8.4452   17.5289   19.6421807 C   -10.7430   20.4586   24.1264808 C   -12.4329   18.7720   22.1332809 C    -8.9175   20.4134   18.3912810 C    -7.2276   22.1000   20.3845811 C   -11.2153   23.3430   22.8755812 C    -5.6260   23.6737    9.4300813 C    -7.4887   19.8654   -1.1810814 C    -7.3609   14.8305    1.3199815 C    -7.3919   16.0511    0.7136816 C    -7.4577   18.6448   -0.5747817 C    -3.5632   22.4151    3.7515818 C    -3.4353   17.3801    6.2524819 C    -3.4663   18.6008    5.6461820 C    -3.5322   21.1944    4.3578821 C    -2.5418   19.6310    9.0650822 C    -8.6235   25.9052   -3.3999823 C    -2.5739   20.8527    8.4591824 C    -2.6386   23.4453    7.1704825 C    -8.3976   17.0027    1.0221826 C    -8.4298   18.2766    0.3893827 C    -6.4674   17.0814    4.1326828 C    -4.6979   28.4548    1.5325829 C    -6.4995   18.3030    3.5266830 C    -6.5642   20.8956    2.2380831 C    -4.4721   19.5524    5.9546832 C    -4.5042   20.8263    5.3217833 C    -9.4842   20.4817    0.0886834 C    -9.6455   26.8357   -3.0676835 C    -3.5124   19.2650   10.0268836 C    -9.3873   16.6674    1.9831837 C    -9.4518   19.2072    0.7216838 C    -3.5771   21.8012    8.7672839 C    -3.6093   23.0792    8.1322840 C    -5.5586   23.0313    5.0210841 C    -5.7199   29.3854    1.8649842 C    -7.4380   16.7153    5.0943843 C    -5.4618   19.2171    6.9156844 C    -5.5262   21.7568    5.6541845 C    -7.5027   19.2515    3.8348846 C    -7.5349   20.5296    3.1997847 C    -4.5339   20.1923   10.3603848 C   -10.6389   26.4979   -2.1023849 C    -4.5670   21.4672    9.7277850 C    -4.6308   24.0066    8.4658851 C   -10.4126   17.6010    2.3166852 C   -10.4452   18.8693    1.6869853 C    -8.4595   17.6427    5.4279854 C    -6.7133   29.0475    2.8301855 C    -8.4925   18.9175    4.7952856 C    -8.5563   21.4570    3.5333857 C    -6.4871   20.1506    7.2490858 C    -6.5196   21.4189    6.6193859 C   -11.5015   21.0736    1.3881860 C   -11.6632   27.4354   -1.7717861 C    -5.5282   19.8541   11.3265862 C   -11.4047   17.2594    3.2827863 C   -11.4695   19.8069    2.0175864 C    -5.5931   22.4016   10.0613865 C    -7.5759   23.6233    6.3205866 C    -7.7376   29.9851    3.1607867 C    -9.4538   17.3045    6.3940868 C    -7.4791   19.8090    8.2151869 C    -7.5440   22.3565    6.9499870 C    -9.5187   19.8520    5.1288871 C    -9.5506   21.1187    4.4995872 C    -6.5526   20.7917   11.6571873 C   -12.6575   27.0972   -0.8056874 C    -6.5851   22.0600   11.0274875 C    -6.6494   24.6060    9.7625876 C   -12.4308   18.1938    3.6163877 C   -12.4638   19.4686    2.9836878 C   -10.4781   18.2420    6.7246879 C    -8.7319   29.6469    4.1269880 C   -10.5107   19.5104    6.0949881 C   -10.5750   22.0563    4.8300882 C    -8.5052   20.7435    8.5487883 C    -8.5382   22.0183    7.9161884 C   -13.5175   21.6741    2.6821885 C   -13.6790   28.0246   -0.4720886 C    -7.5459   20.4538   12.6223887 C   -13.4206   17.8598    4.5767888 H   -13.4853   20.3960    3.3172889 H    -7.6104   22.9936   11.3608890 H    -7.6428   24.2681   10.7278891 H    -9.5919   24.2238    7.6146892 H    -9.7534   30.5743    4.4605893 H   -11.4715   17.9042    7.6899894 H    -9.4951   20.4095    9.5092895 H    -9.5597   22.9457    8.2496896 H   -11.5360   20.4439    6.4283897 H   -11.5684   21.7184    5.7953898 H    -8.5679   21.3844   12.9547899 H   -14.6496   27.6585    0.4897900 H    -8.6001   22.6583   12.3218901 H    -8.6648   25.1987   11.0601902 H   -14.4238   18.8083    4.8849903 H   -14.4560   20.0300    4.2789904 H   -12.4935   18.8347    8.0222905 H   -10.7241   30.2082    5.4222906 H   -12.5257   20.1086    7.3893907 H   -12.5903   22.6490    6.1276908 H   -10.4983   21.3579    9.8173909 H   -10.5304   22.5796    9.2114910 H    -9.8305   32.4591    8.2349911 H    -9.6058   23.6099   12.6303912 H   -13.7561   29.9094    3.3024913 H   -13.5314   21.0602    7.6979914 H   -13.5624   22.2808    7.0916915 H    -7.5546   22.4591   -2.4693916 H    -7.5856   23.6797   -3.0756917 H    -3.6290   25.0087    2.4632918 H    -3.6600   26.2293    1.8569919 H    -2.6707   24.6670    6.5645920 H    -2.7355   27.2596    5.2759921 H    -8.4945   20.8170   -0.8724922 H    -8.5266   22.0909   -1.5053923 H    -2.7676   28.4813    4.6699924 H    -8.5913   24.6313   -2.7670925 H    -6.5963   22.1173    1.6320926 H    -6.6610   24.7099    0.3434927 H    -4.5689   23.3666    4.0600928 H    -4.6011   24.6405    3.4271929 H    -6.6932   25.9316   -0.2625930 H    -4.6657   27.1809    2.1654931 H    -9.5486   23.0215   -1.1730932 H    -3.6740   25.6154    6.8726933 H    -3.7061   26.8935    6.2376934 H    -9.5810   24.2960   -1.8060935 H    -3.7708   29.4297    4.9781936 H    -5.6231   25.5711    3.7595937 H    -7.5995   23.0658    1.9402938 H    -7.6317   24.3439    1.3051939 H    -5.6555   26.8456    3.1264940 H    -7.6964   26.8801    0.0456941 H    -4.6638   25.2814    7.8331942 H    -4.7276   27.8209    6.5712943 H   -10.5095   21.4152    0.4220944 H   -10.5420   22.6836   -0.2077945 H    -4.7606   29.0957    5.9385946 H   -10.6063   25.2295   -1.4726947 H    -8.5894   22.7318    2.9006948 H    -8.6532   25.2713    1.6387949 H    -6.5839   23.9649    5.3544950 H    -6.6164   25.2332    4.7247951 H    -8.6862   26.5461    1.0060952 H    -6.6807   27.7792    3.4598953 H   -11.5664   23.6212    0.1229954 H    -5.6899   26.2159    8.1667955 H    -5.7219   27.4827    7.5373956 H   -11.5983   24.8879   -0.5065957 H    -5.7868   30.0302    6.2721958 H    -7.6408   26.1708    5.0553959 H    -9.6155   23.6663    3.2342960 H    -9.6475   24.9330    2.6049961 H    -7.6728   27.4376    4.4259962 H    -9.7123   27.4805    1.3397963 H    -6.6819   25.8743    9.1328964 H    -6.7462   28.4203    7.8679965 H   -12.5276   22.0081    1.7217966 H   -12.5606   23.2829    1.0890967 H    -6.7788   29.6886    7.2382968 H   -12.6244   25.8224   -0.1729969 H   -10.6075   23.3247    4.2003970 H   -10.6718   25.8706    2.9355971 H    -8.6020   24.5578    6.6541972 H    -8.6351   25.8326    6.0215973 H   -10.7044   27.1389    2.3058974 H    -8.6989   28.3721    4.7596975 H   -13.5821   24.2103    1.4226976 H    -7.7072   26.8079    9.4662977 H    -7.7396   28.0824    8.8332978 H   -13.6143   25.4884    0.7875979 H    -7.8041   30.6222    7.5716980 H    -9.6566   26.7600    6.3551981 H   -11.6328   24.2582    4.5338982 H   -11.6652   25.5327    3.9007983 H    -9.6887   28.0380    5.7200984 O   -11.7296   28.0725    2.6392985 O    -8.6969   26.4726   10.4272986 O    -8.7616   29.0130    9.1655987 O   -14.5207   22.6226    2.9903988 O   -14.5528   23.8443    2.3843989 O    -8.7938   30.2868    8.5326990 O   -14.6175   26.4369    1.0957991 O   -12.6225   23.9229    5.4948992 O   -12.6872   26.4633    4.2331993 O   -10.5951   25.1722    7.9227994 O   -10.6272   26.3939    7.3168995 O   -12.7194   27.7372    3.6002996 O   -10.6919   28.9865    6.0281997 O    -9.7027   27.4241   10.7358998 O    -9.7337   28.6448   10.1295999 O    -9.7995   31.2384    8.84121000 O   -13.6283   24.8745    5.80331001 O   -13.6592   26.0951    5.19701002 O   -13.7251   28.6888    3.90871003 O   -18.1858   30.7259   13.08471004 O   -18.2143   27.0675    1.09591005 O   -14.1728   29.5438   10.60481006 O   -22.2273   28.2496    3.57581007 O   -14.1216   23.9162   13.54331008 O   -13.5428   26.5710   11.71871009 O   -17.5559   27.7532   14.19861010 O   -22.1762   22.6220    6.51431011 O   -18.1347   25.0983   16.02321012 O   -17.5843   24.0947    2.20981013 O   -18.1631   21.4399    4.03441014 O   -21.5974   25.2769    4.68971015 O   -13.7822   32.3863    8.97341016 O   -17.7953   33.5684   11.45341017 O   -17.5332   18.4671    5.14831018 O   -21.5462   19.6492    7.62821019 O   -14.0257   28.6396    6.42761020 O   -18.0920   29.7460    8.85511021 O   -13.4015   25.6456    7.48661022 O   -17.4679   26.7520    9.91411023 O   -18.0676   24.0540   11.66731024 O   -14.0012   22.9476    9.23981025 O   -17.4434   21.0600   12.72631026 O   -13.3771   19.9536   10.29881027 O   -17.6301   19.7108    9.29871028 O   -21.6178   20.9538   11.78971029 O   -18.2475   22.6726    8.14911030 O   -22.2352   23.9156   10.64021031 O   -17.6633   25.2986    6.28491032 O   -21.6509   26.5416    8.77601033 O   -18.2806   28.2604    5.13541034 O    -6.8603   25.5789   -4.63461035 O    -6.6237   16.2836   -0.01801036 O    -6.6666   17.9504   -0.84541037 O    -2.9347   28.1286    0.29791038 O    -2.6981   18.8333    4.91451039 O    -2.7410   20.5000    4.08711040 O    -5.6764   16.3901    3.86041041 O    -5.7332   18.5397    2.79441042 O    -5.7733   20.2044    1.96581043 O    -1.7509   18.9397    8.79291044 O    -1.8076   21.0893    7.72691045 O    -1.8477   22.7540    6.89831046 O    -6.7205   20.0979   -1.91261047 O    -6.7634   21.7646   -2.74001048 O    -6.8173   23.9122   -3.80721049 O    -2.7949   22.6476    3.01991050 O    -2.8379   24.3143    2.19251051 O    -2.8918   26.4619    1.12531052 O    -5.8300   22.3540    0.89981053 O    -5.8701   24.0187    0.07131054 O    -5.9268   26.1683   -0.99481055 O    -1.9044   24.9036    5.83231056 O    -1.9445   26.5683    5.00371057 O    -2.0013   28.7179    3.93771058 O   -22.2683   29.5034    7.62641059 O   -18.2526   29.9572   12.03301060 O   -15.2294   29.8329   11.26551061 O   -10.4299   31.3981    9.90911062 O   -14.2395   28.7751    9.55311063 O   -11.2164   28.6507    8.78561064 O   -13.0277   30.0239   10.99731065 O   -23.2840   28.5387    4.23651066 O   -17.0408   31.2060   13.47721067 O   -14.4430   32.5802   12.38901068 O   -19.2709   27.3565    1.75661069 O   -17.0692   27.5476    1.48841070 O   -21.0823   28.7297    3.96841071 O   -14.1884   23.1475   12.49161072 O   -12.4862   26.2820   11.05801073 O   -14.6879   26.0910   11.32611074 O   -11.1652   23.0231   11.72411075 O   -13.4761   27.3398   12.77041076 O   -17.4891   28.5219   15.25031077 O   -14.3918   26.9526   15.32751078 O   -18.2015   24.3296   14.97151079 O   -20.5407   24.9878    4.02901080 O   -16.4992   27.4641   13.53791081 O   -14.8913   29.8961   14.16211082 O   -18.7009   27.2731   13.80611083 O   -15.1783   24.2052   14.20401084 O   -19.2198   21.7289    4.69511085 O   -12.9766   24.3962   13.93581086 O   -16.9896   25.5784   16.41581087 O   -17.5176   24.8635    3.26151088 O   -10.3787   25.7705   12.84761089 O   -10.8782   28.7140   11.68221090 O   -17.0181   21.9199    4.42701091 O   -21.5306   26.0456    5.74141092 O   -24.5538   26.1700    6.50891093 O   -23.2328   22.9110    7.17511094 O   -21.0312   23.1021    6.90691095 O   -16.7386   33.2794   10.79261096 O   -18.9403   33.0884   11.06081097 O   -13.7154   33.1550   10.02521098 O   -12.7255   32.0972    8.31271099 O   -10.8271   23.0864   14.62071100 O   -14.9272   31.9062    8.58091101 O   -17.7285   34.3371   12.50511102 O   -24.5026   20.5423    9.44741103 O   -17.4664   19.2358    6.20001104 O   -21.4795   20.4180    8.67991105 O   -20.4896   19.3602    6.96751106 O   -14.8401   24.2685   17.10061107 O   -18.1344   29.0008    7.78531108 O   -14.0681   27.8944    5.35781109 O   -15.0964   28.9085    7.07401110 O   -19.1627   30.0149    9.50151111 O   -12.8910   29.1163    6.85291112 O   -16.9574   30.2227    9.28041113 O   -17.4255   27.4972   10.98391114 O   -13.3591   26.3908    8.55641115 O   -16.3972   26.4831    9.26771116 O   -20.4635   27.5895   11.69521117 O   -18.6025   26.2754    9.48881118 O   -14.5362   25.1689    7.06131119 O   -14.0436   22.2024    8.17001120 O   -18.1100   23.3088   10.59751121 O   -19.1383   24.3229   12.31371122 O   -15.0720   23.2165    9.88621123 O   -12.8666   23.4243    9.66511124 O   -16.9329   24.5307   12.09261125 O   -17.4010   21.8052   13.79611126 O   -20.4391   21.8976   14.50741127 O   -18.5781   20.5834   12.30101128 O   -14.5118   19.4769    9.87351129 O   -16.3727   20.7911   12.07991130 O   -13.3347   20.6988   11.36861131 O   -16.5800   19.4056    8.63471132 O   -18.7811   19.2334    8.92051133 O   -17.5508   20.4931   10.33941134 O   -21.5385   21.7361   12.83051135 O   -20.5677   20.6486   11.12581136 O   -22.7688   20.4764   11.41151137 O   -18.3267   21.8903    7.10831138 O   -15.3099   21.7347    6.32201139 O   -17.0965   23.1500    8.52731140 O   -19.2976   22.9778    8.81301141 O   -21.0842   24.3930   11.01841142 O   -22.3144   23.1333    9.59941143 O   -16.6132   24.9935    5.62101144 O   -18.8142   24.8213    5.90671145 O   -17.5840   26.0809    7.32571146 O   -20.6009   26.2365    8.11201147 O   -22.8019   26.0643    8.39771148 O   -21.5717   27.3239    9.81671149 O   -15.3430   27.3226    3.30831150 O   -18.3599   27.4781    4.09461151 O   -19.3307   28.5656    5.79931152 O   -17.1297   28.7378    5.51361153 O   -21.1174   29.9808    8.00461154 O   -22.3476   28.7211    6.58561155 O   -12.9254   28.0797    8.30041156 O   -16.9384   29.2618   10.78041157 O   -15.2739   30.9329   12.80771158 O   -13.1288   31.8848   11.13641159 O   -11.2608   29.7508   10.32781160 O   -17.1418   33.0670   13.61631161 O   -23.3285   29.6387    5.77881162 O   -19.3154   28.4566    3.29881163 O   -12.8742   22.4521   11.23901164 O   -16.8873   23.6342   13.71891165 O   -11.2097   24.1232   13.26631166 O   -12.4417   25.1820    9.51571167 O   -13.0776   26.2572   14.07491168 O   -17.0907   27.4393   16.55481169 O   -15.2227   25.3053   15.74631170 O   -19.2642   22.8290    6.23741171 O   -14.7902   28.0352   14.02301172 O   -16.4548   26.3641   11.99561173 O   -10.7772   26.8530   11.54311174 O   -12.6451   28.9871   12.35171175 O   -23.2773   24.0111    8.71731176 O   -22.8448   26.7410    6.99401177 O   -16.6582   30.1692   14.83161178 O   -18.8317   25.5589    4.51411179 O   -11.0165   32.6683    8.79791180 O   -16.6941   32.1793    9.25041181 O   -12.6811   30.9972    6.77051182 O   -18.7806   19.9312    7.45261183 O   -15.0296   33.8504   11.27781184 O   -16.6070   24.5416   17.77011185 O   -12.5940   23.3595   15.29021186 O   -22.7936   21.1134    9.93261187 O   -20.8590   29.4466    8.97061188 O   -16.7927   28.3402    6.54321189 O   -15.1764   29.9734    8.63941190 O   -19.2428   31.0798   11.06681191 O   -18.7672   28.1578   12.22601192 O   -14.7009   27.0514    9.79861193 O   -20.3835   26.5247   10.12991194 O   -16.3171   25.4183    7.70241195 O   -16.7682   22.6482    9.35531196 O   -20.8346   23.7546   11.78281197 O   -15.1520   24.2814   11.45151198 O   -19.2184   25.3878   13.87901199 O   -18.7428   22.4659   15.03821200 O   -20.3590   20.8327   12.94201201 O   -16.2927   19.7263   10.51461202 O   -14.6765   21.3594   12.61081203 O   -14.8639   19.9713    9.10051204 O   -16.5537   18.2846    7.10721205 O   -20.5414   19.5277    9.59821206 O   -18.8516   21.2143   11.59151207 O   -17.0260   21.1691    5.85631208 O   -15.3362   22.8557    7.84951209 O   -19.3239   24.0987   10.34061210 O   -21.0137   22.4121    8.34731211 O   -14.8970   25.5591    6.08671212 O   -16.5868   23.8725    4.09351213 O   -18.8847   26.8022    8.57781214 O   -20.5745   25.1155    6.58451215 O   -17.0591   26.7569    2.84251216 O   -15.3693   28.4436    4.83581217 O   -19.3570   29.6866    7.32681218 O     2.2251   28.7730   19.29491219 O     0.3624   24.9647    8.68391220 O     0.4902   19.9298   11.18481221 O     0.4592   21.1504   10.57851222 O     0.3934   23.7441    9.29021223 O     4.2880   27.5144   13.61641224 O     4.4158   22.4795   16.11731225 O     4.3848   23.7001   15.51101226 O     4.3190   26.2937   14.22271227 O     5.3094   24.7303   18.92991228 O    -0.7724   31.0045    6.46501229 O     5.2772   25.9520   18.32401230 O     5.2125   28.5446   17.03541231 O    -0.5465   22.1020   10.88711232 O    -0.5787   23.3759   10.25421233 O     1.3838   22.1807   13.99751234 O     3.1532   33.5541   11.39751235 O     1.3517   23.4024   13.39151236 O     1.2870   25.9949   12.10291237 O     3.3791   24.6517   15.81951238 O     3.3469   25.9256   15.18661239 O    -1.6330   25.5810    9.95351240 O    -1.7943   31.9351    6.79731241 O     4.3387   24.3643   19.89171242 O    -1.5362   21.7667   11.84811243 O    -1.6007   24.3065   10.58651244 O     4.2740   26.9005   18.63211245 O     4.2419   28.1785   17.99711246 O     2.2925   28.1307   14.88591247 O     2.1312   34.4847   11.72981248 O     0.4131   21.8146   14.95921249 O     2.3894   24.3164   16.78051250 O     2.3249   26.8561   15.51901251 O     0.3485   24.3508   13.69971252 O     0.3163   25.6289   13.06461253 O     3.3172   25.2917   20.22531254 O    -2.7877   31.5972    7.76261255 O     3.2842   26.5665   19.59261256 O     3.2204   29.1059   18.33071257 O    -2.5615   22.7003   12.18151258 O    -2.5940   23.9686   11.55181259 O    -0.6084   22.7420   15.29281260 O     1.1378   34.1468   12.69511261 O    -0.6414   24.0168   14.66011262 O    -0.7052   26.5563   13.39821263 O     1.3641   25.2499   17.11391264 O     1.3315   26.5182   16.48421265 O    -3.6503   26.1730   11.25301266 O    -3.8121   32.5347    8.09321267 O     2.3229   24.9534   21.19141268 O    -3.5535   22.3587   13.14761269 O    -3.6184   24.9062   11.88241270 O     2.2581   27.5009   19.92621271 O     0.2752   28.7226   16.18551272 O     0.1135   35.0844   13.02561273 O    -1.6026   22.4038   16.25901274 O     0.3721   24.9083   18.08001275 O     0.3072   27.4558   16.81481276 O    -1.6675   24.9513   14.99371277 O    -1.6995   26.2181   14.36441278 O     1.2986   25.8910   21.52201279 O    -4.8064   32.1965    9.05931280 O     1.2660   27.1593   20.89231281 O     1.2017   29.7053   19.62741282 O    -4.5796   23.2931   13.48121283 O    -4.6127   24.5679   12.84851284 O    -2.6270   23.3414   16.58951285 O    -0.8808   34.7462   13.99181286 O    -2.6595   24.6097   15.95981287 O    -2.7238   27.1556   14.69501288 O    -0.6540   25.8428   18.41361289 O    -0.6871   27.1176   17.78101290 O    -5.6663   26.7734   12.54701291 O    -5.8278   33.1239    9.39291292 O     0.3052   25.5531   22.48731293 O    -5.5695   22.9591   14.44161294 O    -5.6342   25.4953   13.18211295 O     0.2408   28.0929   21.22571296 O     0.2084   29.3674   20.59271297 O    -1.7407   29.3231   17.47951298 O    -1.9023   35.6736   14.32541299 O    -3.6204   23.0035   17.55481300 O    -1.6439   25.5088   19.37411301 O    -1.7086   28.0450   18.11461302 O    -3.6848   25.5432   16.29331303 O    -3.7172   26.8177   15.66021304 O    -0.7168   26.4837   22.81961305 O    -6.7985   32.7579   10.35471306 O    -0.7490   27.7576   22.18671307 O    -0.8136   30.2980   20.92501308 O    -6.5727   23.9076   14.74981309 O    -6.6048   25.1293   14.14381310 O    -4.6424   23.9340   17.88711311 O    -2.8729   35.3075   15.28711312 O    -4.6745   25.2079   17.25431313 O    -4.7392   27.7483   15.99261314 O    -2.6471   26.4572   19.68221315 O    -2.6792   27.6789   19.07631316 O    -1.9794   37.5584   18.09981317 O    -1.7547   28.7092   22.49531318 O    -5.9050   35.0087   13.16731319 O    -5.6803   26.1595   17.56281320 O    -5.7113   27.3802   16.95651321 O     0.2966   27.5584    7.39561322 O     0.2656   28.7790    6.78931323 O     4.2221   30.1080   12.32811324 O     4.1911   31.3287   11.72181325 O     5.1804   29.7663   16.42941326 O     5.1157   32.3589   15.14081327 O    -0.6433   25.9163    8.99251328 O    -0.6755   27.1902    8.35961329 O     5.0836   33.5806   14.53481330 O    -0.7402   29.7306    7.09791331 O     1.2548   27.2166   11.49701332 O     1.1901   29.8092   10.20831333 O     3.2822   28.4660   13.92491334 O     3.2501   29.7398   13.29201335 O     1.1580   31.0309    9.60241336 O     3.1854   32.2802   12.03031337 O    -1.6975   28.1208    8.69191338 O     4.1772   30.7148   16.73761339 O     4.1450   31.9928   16.10251340 O    -1.7299   29.3953    8.05891341 O     4.0804   34.5290   14.84301342 O     2.2281   30.6704   13.62441343 O     0.2516   28.1651   11.80511344 O     0.2195   29.4432   11.17001345 O     2.1957   31.9449   12.99131346 O     0.1548   31.9794    9.91051347 O     3.1873   30.3808   17.69801348 O     3.1235   32.9202   16.43611349 O    -2.6583   26.5146   10.28691350 O    -2.6909   27.7829    9.65721351 O     3.0905   34.1950   15.80341352 O    -2.7552   30.3288    8.39231353 O    -0.7382   27.8311   12.76551354 O    -0.8020   30.3706   11.50361355 O     1.2673   29.0642   15.21941356 O     1.2347   30.3325   14.58961357 O    -0.8351   31.6454   10.87101358 O     1.1704   32.8785   13.32481359 O    -3.7152   28.7205    9.98781360 O     2.1612   31.3152   18.03161361 O     2.1293   32.5820   17.40221362 O    -3.7472   29.9872    9.35841363 O     2.0644   35.1295   16.13701364 O     0.2104   31.2701   14.92021365 O    -1.7643   28.7656   13.09921366 O    -1.7963   30.0323   12.46981367 O     0.1784   32.5369   14.29091368 Li   -1.8612   32.5798   11.20461369 Li    1.1692   30.9736   18.99771370 Li    1.1049   33.5196   17.73281371 Li   -4.6765   27.1074   11.58661372 Li   -4.7095   28.3822   10.95391373 Li    1.0724   34.7879   17.10311374 Li   -4.7733   30.9217    9.69201375 Li   -2.7564   28.4240   14.06531376 Li   -2.8207   30.9699   12.80041377 Li   -0.7509   29.6571   16.51911378 Li   -0.7839   30.9319   15.88641379 Li   -2.8532   32.2382   12.17071380 Li   -0.8477   33.4714   14.62451381 Li   -5.7310   29.3096   11.28751382 Li    0.1439   31.9072   19.33111383 Li    0.1115   33.1817   18.69811384 Li   -5.7632   30.5877   10.65251385 Li    0.0471   35.7215   17.43651386 Li   -1.8054   31.8593   16.22001387 Li   -3.7817   29.3575   14.39871388 Li   -3.8140   30.6320   13.76561389 Li   -1.8376   33.1374   15.58491390 Li   -3.8785   33.1718   12.50411391 Li   -0.8458   31.5719   20.29211392 Li   -0.9105   34.1123   19.03041393 Li   -6.6695   27.7219   12.85521394 Li   -6.7016   28.9436   12.24921395 Li   -0.9426   35.3862   18.39751396 Li   -6.7664   31.5362   10.96061397 Li   -4.7714   29.0222   15.35971398 Li   -4.8360   31.5626   14.09801399 Li   -2.7439   30.2715   17.78761400 Li   -2.7761   31.4932   17.18171401 Li   -4.8682   32.8365   13.46511402 Li   -2.8408   34.0858   15.89311403 Li   -1.8515   32.5235   20.60071404 Li   -1.8825   33.7441   19.99441405 Li   -1.9484   36.3377   18.70611406 Li   -5.7771   29.9738   15.66821407 Li   -5.8081   31.1944   15.06191408 Li   -5.8739   33.7881   13.77361409 Li  -10.3347   35.8253   22.94961410 Li  -10.3631   32.1668   10.96081411 Li   -6.3216   34.6431   20.46971412 Li  -14.3762   33.3490   13.44071413 Li   -6.2705   29.0155   23.40821414 Li   -5.6917   31.6704   21.58361415 Li   -9.7048   32.8525   24.06351416 Li  -14.3250   27.7213   16.37931417 Li  -10.2835   30.1976   25.88821418 Li   -9.7332   29.1940   12.07471419 Li  -10.3120   26.5392   13.89931420 Li  -13.7463   30.3762   14.55461421 Li   -5.9311   37.4856   18.83831422 Li   -9.9441   38.6677   21.31831423 Li   -9.6820   23.5664   15.01321424 Li  -13.6951   24.7485   17.49311425 Li   -6.1745   33.7389   16.29251426 Li  -10.2409   34.8453   18.72001427 Li   -5.5504   30.7449   17.35161428 Li   -9.6167   31.8513   19.77901429 Li  -10.2164   29.1533   21.53221430 Li   -6.1501   28.0469   19.10471431 Li   -9.5923   26.1594   22.59121432 Li   -5.5259   25.0529   20.16381433 Li   -9.7790   24.8101   19.16361434 Li  -13.7667   26.0531   21.65461435 Li  -10.3963   27.7719   18.01401436 Li  -14.3840   29.0149   20.50511437 Li   -9.8121   30.3979   16.14981438 Li  -13.7998   31.6409   18.64091439 Li  -10.4295   33.3597   15.00031440 Li    0.9909   30.6782    5.23041441 Li    1.2275   21.3829    9.84691442 Li    1.1846   23.0497    9.01951443 Li    4.9164   33.2279   10.16281444 Li    5.1530   23.9326   14.77941445 Li    5.1101   25.5993   13.95201446 Li    2.1747   21.4894   13.72531447 Li    2.1180   23.6390   12.65931448 Li    2.0779   25.3037   11.83081449 Li    6.1003   24.0391   18.65781450 Li    6.0436   26.1887   17.59181451 Li    6.0034   27.8533   16.76321452 Li    1.1306   25.1972    7.95231453 Li    1.0877   26.8640    7.12491454 Li    1.0338   29.0115    6.05781455 Li    5.0562   27.7469   12.88481456 Li    5.0133   29.4136   12.05741457 Li    4.9594   31.5612   10.99021458 Li    2.0211   27.4533   10.76471459 Li    1.9810   29.1180    9.93621460 Li    1.9243   31.2676    8.87021461 Li    5.9467   30.0029   15.69721462 Li    5.9066   31.6676   14.86861463 Li    5.8499   33.8172   13.80261464 Li  -14.4172   34.6028   17.49131465 Li  -10.4015   35.0565   21.89791466 Li   -7.3783   34.9322   21.13041467 Li   -2.5788   36.4974   19.77401468 Li   -6.3884   33.8744   19.41801469 Li   -3.3652   33.7500   18.65051470 Li   -5.1766   35.1232   20.86221471 Li  -15.4328   33.6380   14.10151472 Li   -9.1897   36.3053   23.34221473 Li   -6.5918   37.6795   22.25391474 Li  -11.4198   32.4559   11.62151475 Li   -9.2181   32.6469   11.35331476 Li  -13.2312   33.8290   13.83331477 Li   -6.3372   28.2468   22.35651478 Li   -4.6350   31.3813   20.92291479 Li   -6.8367   31.1903   21.19111480 Li   -3.3141   28.1224   21.58901481 Li   -5.6249   32.4391   22.63531482 Li   -9.6380   33.6212   25.11521483 Li   -6.5407   32.0519   25.19251484 Li  -10.3503   29.4289   24.83641485 Li  -12.6896   30.0872   13.89391486 Li   -8.6481   32.5635   23.40281487 Li   -7.0401   34.9954   24.02701488 Li  -10.8498   32.3724   23.67101489 Li   -7.3271   29.3045   24.06891490 Li  -11.3686   26.8282   14.56011491 Li   -5.1254   29.4956   23.80081492 Li   -9.1385   30.6777   26.28071493 Li   -9.6664   29.9628   13.12641494 Li   -2.5276   30.8698   22.71251495 Li   -3.0271   33.8133   21.54711496 Li   -9.1669   27.0193   14.29191497 Li  -13.6795   31.1449   15.60631498 Li  -16.7027   31.2693   16.37381499 Li  -15.3817   28.0104   17.04001500 Li  -13.1800   28.2014   16.77181501 Li   -8.8875   38.3787   20.65761502 Li  -11.0891   38.1877   20.92571503 Li   -5.8643   38.2543   19.89011504 Li   -4.8744   37.1966   18.17761505 Li   -2.9759   28.1857   24.48561506 Li   -7.0761   37.0055   18.44581507 Li   -9.8773   39.4364   22.37001508 Li  -16.6515   25.6417   19.31231509 Li   -9.6153   24.3351   16.06491510 Li  -13.6283   25.5173   18.54491511 Li  -12.6384   24.4595   16.83241512 Li   -6.9890   29.3678   26.96551513 Li  -10.2833   34.1001   17.65021514 Li   -6.2169   32.9937   15.22281515 Li   -7.2452   34.0078   16.93891516 Li  -11.3116   35.1142   19.36641517 Li   -5.0398   34.2156   16.71781518 Li   -9.1062   35.3220   19.14531519 Li   -9.5743   32.5965   20.84881520 Li   -5.5080   31.4901   18.42131521 Li   -8.5460   31.5824   19.13261522 Li  -12.6124   32.6888   21.56011523 Li  -10.7514   31.3747   19.35371524 Li   -6.6850   30.2682   16.92621525 Li   -6.1925   27.3017   18.03501526 Li  -10.2588   28.4081   20.46241527 Li  -11.2872   29.4222   22.17861528 Li   -7.2208   28.3158   19.75111529 Li   -5.0154   28.5236   19.53001530 Li   -9.0818   29.6300   21.95751531 Li   -9.5499   26.9045   23.66101532 Li  -12.5879   26.9969   24.37231533 Li  -10.7270   25.6827   22.16591534 Li   -6.6606   24.5763   19.73841535 Li   -8.5216   25.8904   21.94481536 Li   -5.4835   25.7981   21.23351537 Li   -8.7289   24.5049   18.49961538 Li  -10.9299   24.3327   18.78541539 Li   -9.6997   25.5924   20.20441540 Li  -13.6874   26.8354   22.69541541 Li  -12.7166   25.7479   20.99071542 Li  -14.9176   25.5757   21.27641543 Li  -10.4756   26.9896   16.97331544 Li   -7.4587   26.8340   16.18691545 Li   -9.2454   28.2493   18.39221546 Li  -11.4464   28.0771   18.67801547 Li  -13.2331   29.4923   20.88331548 Li  -14.4633   28.2326   19.46431549 Li   -8.7620   30.0928   15.48591550 Li  -10.9631   29.9206   15.77161551 Li   -9.7328   31.1802   17.19061552 Li  -12.7497   31.3358   17.97691553 Li  -14.9508   31.1636   18.26271554 Li  -13.7205   32.4233   19.68171555 Li   -7.4918   32.4219   13.17321556 Li  -10.5087   32.5774   13.95951557 Li  -11.4795   33.6649   15.66421558 Li   -9.2785   33.8371   15.37851559 Li  -13.2662   35.0801   17.86951560 Li  -14.4964   33.8204   16.45051561 Li   -5.0742   33.1790   18.16541562 Li   -9.0873   34.3611   20.64531563 Li   -7.4228   36.0322   22.67271564 Li   -5.2776   36.9841   21.00131565 Li   -3.4097   34.8501   20.19271566 Li   -9.2907   38.1663   23.48121567 Li  -15.4773   34.7380   15.64371568 Li  -11.4643   33.5559   13.16381569 Li   -5.0231   27.5514   21.10391570 Li   -9.0361   28.7335   23.58381571 Li   -3.3585   29.2225   23.13131572 Li   -4.5906   30.2813   19.38061573 Li   -5.2265   31.3565   23.93981574 Li   -9.2395   32.5386   26.41971575 Li   -7.3716   30.4046   25.61121576 Li  -11.4131   27.9283   16.10231577 Li   -6.9391   33.1345   23.88791578 Li   -8.6036   31.4634   21.86061579 Li   -2.9260   31.9524   21.40801580 Li   -4.7940   34.0864   22.21661581 Li  -15.4262   29.1104   18.58221582 Li  -14.9937   31.8403   16.85901583 Li   -8.8070   35.2685   24.69651584 Li  -10.9806   30.6582   14.37901585 Li   -3.1654   37.7676   18.66281586 Li   -8.8430   37.2786   19.11531587 Li   -4.8299   36.0965   16.63541588 Li  -10.9294   25.0305   17.31761589 Li   -7.1785   38.9497   21.14271590 Li   -8.7559   29.6409   27.63501591 Li   -4.7428   28.4588   25.15511592 Li  -14.9425   26.2127   19.79751593 Li  -13.0079   34.5459   18.83551594 Li   -8.9415   33.4395   16.40811595 Li   -7.3253   35.0727   18.50431596 Li  -11.3917   36.1791   20.93171597 Li  -10.9161   33.2572   22.09101598 Li   -6.8497   32.1507   19.66351599 Li  -12.5323   31.6240   19.99481600 Li   -8.4660   30.5176   17.56731601 Li   -8.9171   27.7475   19.22031602 Li  -12.9834   28.8539   21.64771603 Li   -7.3009   29.3807   21.31651604 Li  -11.3672   30.4871   23.74391605 Li  -10.8917   27.5652   24.90321606 Li  -12.5079   25.9320   22.80701607 Li   -8.4415   24.8256   20.37951608 Li   -6.8253   26.4587   22.47571609 Li   -7.0127   25.0706   18.96541610 Li   -8.7026   23.3840   16.97211611 Li  -12.6903   24.6270   19.46311612 Li  -11.0004   26.3136   21.45641613 Li   -9.1749   26.2684   15.72121614 Li   -7.4850   27.9550   17.71451615 Li  -11.4727   29.1980   20.20551616 Li  -13.1626   27.5114   18.21221617 Li   -7.0459   30.6584   15.95161618 Li   -8.7357   28.9718   13.95841619 Li  -11.0336   31.9015   18.44271620 Li  -12.7234   30.2148   16.44941621 Li   -9.2080   31.8562   12.70741622 Li   -7.5182   33.5429   14.70071623 Li  -11.5059   34.7859   17.1917                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                           CC CC Lii Li                                                                                                       C  CC LiC LLiLii                                                                                                C  C  CC LC LCi LiiLLi                                                                                             C  C CiiCLi LC Li  Li                                                                                           C C CC Li LiLi C   C  Li Lii                                                                                      C   C  Li CiLiC CLiCCiLCC CLi Li Li                                                                            C  C  Li  Ci C  CCiLCiLCC LCiLCi LiiLi                                                                                  C CC CCi CiCCi CiCLiCLiCLC CCO Liii                                                                        C CCC CCiLCiLCC LCi CCCLiiCLi   CCCCCCOOOLiLi                                                                      C  C  CC  CiCLi CLiLi Ci    LiC LiCCCCCCO O LiLi                                                               C  C   Ci Ci LC  Ci Lii C  CiCLiC LLi   CC C C OOOLiii                                                                CC C LCLiLii Li   C LC LC  Ci Li Li    C C CCCOOOOOO                                                             C  CC Li CiiCC CCiCCiLCi LC  LCCCCCCOO LiLi CCCCCCOO O O                                                      C  C   LiCCi C  LC LC  CC  Ci CiiLii CCC C C OOLii CCC C C OOOOO                                                        C CC CCiCCiCLi Ci CiLiC     Li   LiC C CCOOLiii  C C CCOOOLiiiii                                              C   C OC OC   CiCCCCCLCLiiLCCLC C OOLOLiiiCCCCCCOOO O OCCCCC CLi                                                  CC  CC OC OC  LC  Ci Li CLi C CLC CCOO  O LiLCCCCCC O O OO                                                      C  C   C  CC CC  C  LiCCi C  Li LiiCCCCCCOO O OiLiC C C COOOOOO                                                       C  C   CC C O OC OC CCi CiiLi Li  CCCCCC O  OOOOLiC CCCCOOOOOO                                                 CC  C  C  C  OC  CC OC OOC Lii LCCCOOLiiCiC C CO OOOOOOCCCCCCCCCLiiiiii                                          CC CC OO  CO C CC  CC OC OC   OC CCCCCCO O LiC CCCC CO O O O                                                  C   C  O  C  CC CC OOCOCOC OC CC  O  OC CCCC C O LiiCCCCC  C O OOOO                                                     C  CC CO CO CO CO  O CCC CCCCOH O OH C C CCCOOOOOCCCCCCCCLiiiLiii                                           C  C  C  OC  C  OC CC CO C OO  CCCC C H HOOO   CCCCCCOOOO O                                                          CC CC OC  OC  C  OC  O  C  C  OC COCCCCHHHHH   CCCCC C O OOO                                                    C  CC OCC CC CC CO OO CO CC CO  O  O CCCCCCCCCH H    C C CCOOOOOO                                               C  C CO  CO O  O    C  CC CC  C OO  O     CCCCC C C HHH  C CCCCOOOOOO                                              CC  C CO  COOC CC  C  OC OC  O C C CCHHOOOH  C C CCCCCHHH  CC CCCCLiiiiii                                      C  C  O  C      CC C   CO OC OO  O  C CCCCCHHHHH HC CCCCCCCCHH H                                                          C CCOCO OCO CC OCC CC OC  O  O  CCCCCC C H HC CCCCCCCC C H                                                      C   C C  CO C COO CO O CCCCCCHHOO O  CCC C C CCHHC CCCCCCOOOOOO                                                      CC  C  CC OC CO  CO   CCCCCCHH H O    C CCCCCCHHHC                                                                    C  C  O  CO    OOC O CCC C C HHHHO   CCCCCCCCC H C                                                                     C  CCCCOCCO OO O    C CCCCCCCHHH   CCCC C C HHHC                                                                      C  C  C   O  O     CCCCCCCCC H H CC C C CCCCHH                                                                    C   C  OCCCC C H OOOH CCCC C C CHHH  CCCCCC OOOOOO                                                                           C C C CCHCHHC C C C CCCCHHH                                                                                           CCCCCCCCHH H  C CCCCCCCH H                                                                                           CCCCCCC C H CC C CCCOOOOOO                                                                                           CC C C CCHHHC                                                                                                        C CCCCCCCCHHC                                                                                                         CCCCCCCC H H                                                                                                        CCCCCC C COOO OO                                                                                                      CCCCCCO                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                          Unit Cell:           Periodic     X           Y           Z      Points  Spacing  --------------------------------------------------------------------  1. axis:    yes   15.702290   10.198620   19.729831   184     0.1478  2. axis:    yes   -0.581058   22.885704  -11.367521   176     0.1452  3. axis:    yes  -28.571303    8.560595   18.313844   232     0.1509O-setup:  name   : Oxygen  id     : 5f3f27ba17355653aa2069308cb75aea  Z      : 8  valence: 6  core   : 2  charge : 0.0  file   : /soft/apps/gpaw-setups-0.6.6300/O.LDA.gz  cutoffs: 0.74(comp), 1.30(filt), 0.83(core), lmax=2  valence states:            energy   radius    2s(2)  -23.752   0.741    2p(4)   -9.195   0.741    *s       3.459   0.741    *p      18.016   0.741    *d       0.000   0.741LCAO basis set for O:  Name: szp(dzp)  Basis set was loaded from file /soft/apps/gpaw-setups-0.6.6300/O.dzp.basis.gz  Number of radial functions: 3  Number of spherical harmonics: 9    l=0, rc=4.4219 Bohr: 2s-sz confined orbital    l=1, rc=5.3438 Bohr: 2p-sz confined orbital    l=2, rc=5.3438 Bohr: d-type Gaussian polarizationLi-setup:  name   : Lithium  id     : b73562207f97a71b6967473b66fe8b65  Z      : 3  valence: 1  core   : 2  charge : 0.0  file   : /soft/apps/gpaw-setups-0.6.6300/Li.LDA.gz  cutoffs: 1.06(comp), 1.91(filt), 2.55(core), lmax=2  valence states:            energy   radius    2s(1)   -2.874   1.058    2p(0)   -1.126   1.058    *s      24.338   1.058LCAO basis set for Li:  Name: szp(dzp)  Basis set was loaded from file /soft/apps/gpaw-setups-0.6.6300/Li.dzp.basis.gz  Number of radial functions: 2  Number of spherical harmonics: 4    l=0, rc=10.8906 Bohr: 2s-sz confined orbital    l=1, rc=10.8906 Bohr: p-type Gaussian polarizationC-setup:  name   : Carbon  id     : d60576a1f549371a163e72552ca58787  Z      : 6  valence: 4  core   : 2  charge : 0.0  file   : /soft/apps/gpaw-setups-0.6.6300/C.LDA.gz  cutoffs: 0.64(comp), 1.14(filt), 1.14(core), lmax=2  valence states:            energy   radius    2s(2)  -13.639   0.635    2p(2)   -5.414   0.635    *s      13.573   0.635    *p      21.797   0.635    *d       0.000   0.635LCAO basis set for C:  Name: szp(dzp)  Basis set was loaded from file /soft/apps/gpaw-setups-0.6.6300/C.dzp.basis.gz  Number of radial functions: 3  Number of spherical harmonics: 9    l=0, rc=5.5469 Bohr: 2s-sz confined orbital    l=1, rc=6.6719 Bohr: 2p-sz confined orbital    l=2, rc=6.6719 Bohr: d-type Gaussian polarizationH-setup:  name   : Hydrogen  id     : 4766778ce56282eaa64abeb28b7c1de3  Z      : 1  valence: 1  core   : 0  charge : 0.0  file   : /soft/apps/gpaw-setups-0.6.6300/H.LDA.gz  cutoffs: 0.48(comp), 0.85(filt), 0.53(core), lmax=2  valence states:            energy   radius    1s(1)   -6.353   0.476    *s      20.858   0.476    *p       0.000   0.476LCAO basis set for H:  Name: szp(dzp)  Basis set was loaded from file /soft/apps/gpaw-setups-0.6.6300/H.dzp.basis.gz  Number of radial functions: 2  Number of spherical harmonics: 4    l=0, rc=6.4219 Bohr: 1s-sz confined orbital    l=1, rc=6.4219 Bohr: p-type Gaussian polarizationUsing the LDA Exchange-Correlation Functional.Spin-Paired CalculationTotal Charge:      0.000000Fermi Temperature: 0.100000Mode: Finite-differenceEigensolver:       <gpaw.eigensolvers.rmm_diis.RMM_DIIS instance at 0xa67bdb98>                   (3 nearest neighbors central finite-difference stencil)Poisson Solver:    GaussSeidel                    (3 nearest neighbors central finite-difference stencil)Interpolation:     6th OrderReference Energy:  -1735678.202487Gamma Point CalculationTotal number of cores used: 16384Domain Decomposition: 8 x 8 x 8Parallelization over states: 32Diagonalizer layout: BLACS 10 x 10 grid with 32 x 32 blocksizeOrthonormalizer layout: BLACS 10 x 10 grid with 32 x 32 blocksize1 k-point in the Irreducible Part of the Brillouin Zone (total: 1)Linear Mixing Parameter:           0.1Pulay Mixing with 5 Old DensitiesDamping of Long Wave Oscillations: 50Convergence Criteria:Total Energy Change per Atom:           0.001 eV / atomIntegral of Absolute Density Change:    0.0001 electronsIntegral of Absolute Eigenstate Change: 1e-09Number of Bands in Calculation:         4000Bands to Converge:                      Occupied States OnlyNumber of Valence Electrons:            6208                     log10-error:    Total        Iterations:           Time      WFS    Density  Energy       Fermi  Poissoniter:   1  09:23:21  +0.3            -8453.19359  3      59     iter:   2  09:24:24  -0.8            -9880.51922  4             iter:   3  09:25:27  -1.0            -10037.86484 3             iter:   4  09:26:51  -1.2   -0.8     -15054.50597 4      52     iter:   5  09:28:17  -1.4   -0.7     -11808.33546 4      59     iter:   6  09:29:45  -1.5   -0.7     -13214.30105 25     63     iter:   7  09:31:12  -1.8   -0.7     -11069.27908 18     62     iter:   8  09:32:38  -1.9   -0.7     -9735.37583  13     56     iter:   9  09:34:01  -2.3   -0.9     -9265.00762  11     50     iter:  10  09:35:23  -2.4   -1.0     -9378.23939  4      46     iter:  11  09:36:45  -2.4   -1.0     -9238.38283  6      47     iter:  12  09:38:08  -2.5   -1.0     -9248.19433  6      49     iter:  13  09:39:34  -2.3   -1.0     -10505.35328 5      57     iter:  14  09:40:59  -2.2   -0.8     -9518.07238  8      57     iter:  15  09:42:23  -2.3   -1.0     -9590.66560  12     52     iter:  16  09:43:48  -2.4   -1.0     -9362.03609  7      52     iter:  17  09:45:09  -2.9   -1.0     -9041.70019  4      46     iter:  18  09:46:26  -3.2   -1.2     -8956.69269  3      31     iter:  19  09:47:49  -2.8   -1.2     -9317.96870  3      48     iter:  20  09:49:13  -2.6   -1.1     -9564.46998  8      54     iter:  21  09:50:37  -2.4   -1.0     -9612.32169  10     52     iter:  22  09:51:58  -2.8   -1.0     -9006.35711  5      43     iter:  23  09:53:17  -3.1   -1.2     -8981.61611  2      36     iter:  24  09:54:33  -3.3   -1.3     -8965.55713  3      31     iter:  25  09:55:51  -3.5   -1.3     -8956.84008  3      35     iter:  26  09:57:16  -2.5   -1.3     -10173.07393 8      54     iter:  27  09:58:41  -2.5   -0.9     -9414.15564  12     56     iter:  28  10:00:02  -2.9   -1.1     -9095.45271  7      44     iter:  29  10:01:22  -3.3   -1.2     -8970.11526  4      38     iter:  30  10:02:38  -3.5   -1.3     -8969.41691  3      31     iter:  31  10:03:55  -3.9   -1.3     -8928.80038  3      32     iter:  32  10:05:20  -2.4   -1.4     -10422.19759 10     55     iter:  33  10:06:45  -2.7   -0.9     -9074.09752  11     56     iter:  34  10:08:04  -3.2   -1.3     -9025.78852  4      36     iter:  35  10:09:24  -3.5   -1.3     -8959.30089  4      40     iter:  36  10:10:38  -3.6   -1.4     -8960.67201  3      25     iter:  37  10:11:54  -3.8   -1.4     -8933.08513  2      30     iter:  38  10:13:19  -2.6   -1.5     -10018.73711 9      53     iter:  39  10:14:43  -2.9   -0.9     -8946.63411  9      53     iter:  40  10:16:02  -3.4   -1.5     -8976.43412  3      37     iter:  41  10:17:20  -3.6   -1.4     -8926.03487  3      36     iter:  42  10:18:39  -3.4   -1.5     -8972.22092  3      37     iter:  43  10:19:57  -3.6   -1.4     -8932.15500  3      36     iter:  44  10:21:22  -2.3   -1.5     -10905.85946 11     55     iter:  45  10:22:47  -2.8   -0.8     -8938.62529  11     56     iter:  46  10:24:07  -3.0   -1.5     -9139.02128  4      40     iter:  47  10:25:28  -3.4   -1.2     -8907.01885  4      43     iter:  48  10:26:47  -3.4   -1.6     -8973.78118  3      37     iter:  49  10:28:06  -3.5   -1.4     -8948.68053  3      37     iter:  50  10:29:30  -2.4   -1.5     -10652.57490 9      54     iter:  51  10:30:55  -2.8   -0.9     -8906.64985  10     54     iter:  52  10:32:16  -3.1   -1.6     -9104.07191  4      42     iter:  53  10:33:36  -3.4   -1.3     -8903.82674  4      42     iter:  54  10:34:56  -3.4   -1.7     -8957.49844  3      39     iter:  55  10:36:15  -3.2   -1.5     -9010.02029  4      38     iter:  56  10:37:39  -2.6   -1.4     -10200.94677 7      53     iter:  57  10:39:03  -2.9   -0.9     -8967.97009  9      53     iter:  58  10:40:24  -3.2   -1.5     -9083.15136  4      43     iter:  59  10:41:45  -3.0   -1.3     -9046.62262  3      43     iter:  60  10:43:08  -2.8   -1.3     -9162.24388  6      48     iter:  61  10:44:29  -2.7   -1.2     -9220.65638  6      44     iter:  62  10:45:53  -2.7   -1.2     -9746.69820  6      52     iter:  63  10:47:16  -2.5   -1.0     -9419.98102  8      50     iter:  64  10:48:39  -2.4   -1.1     -9887.44650  5      51     iter:  65  10:50:03  -2.3   -1.0     -9694.72599  6      51     iter:  66  10:51:27  -2.2   -1.0     -9718.94966  12     53     iter:  67  10:52:50  -2.2   -1.0     -9941.42247  8      48     iter:  68  10:54:15  -2.0   -1.0     -11806.81548 9      57     iter:  69  10:55:40  -1.9   -0.8     -10703.61945 11     54     iter:  70  10:57:06  -1.9   -0.9     -11524.18223 3      56     iter:  71  10:58:31  -1.8   -0.8     -11250.90837 10     56     iter:  72  10:59:57  -1.7   -0.8     -10819.31417 18     57     iter:  73  11:01:19  -1.8   -0.9     -11053.86731 8      49     iter:  74  11:02:47  -1.5   -0.8     -16217.27629 22     61     iter:  75  11:04:11  -1.5   -0.6     -13945.73416 16     55     iter:  76  11:05:39  -1.4   -0.7     -14940.87215 3      62     iter:  77  11:07:05  -1.5   -0.6     -13040.72272 10     59     iter:  78  11:08:32  -1.5   -0.7     -12171.13130 20     58     iter:  79  11:09:54  -1.5   -0.8     -13050.43362 7      47     iter:  80  11:11:21  -1.4   -0.7     -16549.74786 13     61     iter:  81  11:12:44  -1.4   -0.6     -16105.81370 6      49     iter:  82  11:14:12  -1.3   -0.6     -16585.56613 6      64     iter:  83  11:15:39  -1.5   -0.6     -13720.49915 11     60     iter:  84  11:17:04  -1.4   -0.7     -13391.74496 16     56     iter:  85  11:18:25  -1.5   -0.7     -13345.16430 5      44     iter:  86  11:19:53  -1.3   -0.7     -18826.12313 21     62     iter:  87  11:21:15  -1.3   -0.6     -17818.93251 5      47     iter:  88  11:22:43  -1.4   -0.6     -16109.12227 15     65     iter:  89  11:24:10  -1.3   -0.6     -14930.91357 17     60     iter:  90  11:25:35  -1.4   -0.6     -13481.57222 15     54     iter:  91  11:26:58  -1.3   -0.7     -14745.40962 6      50     iter:  92  11:28:25  -1.4   -0.7     -16830.48747 13     62     iter:  93  11:29:46  -1.4   -0.6     -17343.14453 3      44     iter:  94  11:31:15  -1.3   -0.6     -17422.70221 9      65     iter:  95  11:32:42  -1.4   -0.5     -14313.89069 12     61     iter:  96  11:34:05  -1.4   -0.6     -14482.57840 8      51     iter:  97  11:35:29  -1.4   -0.7     -13756.34743 12     50     iter:  98  11:36:56  -1.3   -0.7     -18555.87859 19     62     iter:  99  11:38:18  -1.3   -0.6     -18847.10093 3      45     iter: 100  11:39:46  -1.3   -0.6     -16819.42472 17     65     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