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HTTP 200 OK
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Content-Type: application/json
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            "nsites": 154,
            "nelements": 5,
            "elements": [
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                "H",
                "C",
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            "chemical_system": "Br-C-H-N-Sb",
            "density": 2.1298115376164874,
            "density_atomic": 0.0753200253638784,
            "volume": 2044.6089769090086,
            "volume_molar": 7.99540458318548,
            "formula_full": "Sb4 H84 C30 Br18 N18",
            "formula_reduced": "Sb2H42C15(BrN)9",
            "formula_anonymous": "A2B9C9D15E42",
            "energy": -803.85569709,
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            "updated_at": "2021-11-28T01:37:34.873000Z",
            "spacegroup": 2
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        {
            "id": "mp-684127",
            "created_at": "2022-09-04T14:45:58.308947Z",
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            "id": "mp-1247722",
            "created_at": "2022-09-04T14:40:40.158066Z",
            "structure_string": "Sr4 Ca28 Mn28 Al4 O90\n1.0\n10.869341 -0.001869 -0.101859\n-0.001934 15.187126 0.008099\n-0.099701 0.006147 10.811688\nSr Ca Mn Al O\n4 28 28 4 90\ndirect\n0.002314 0.119452 0.500681 Sr\n0.498677 0.371655 0.990960 Sr\n0.244603 0.376718 0.247991 Sr\n0.257081 0.122980 0.237573 Sr\n0.007120 0.110886 0.004674 Ca\n0.017148 0.629242 0.499085 Ca\n0.019261 0.626847 0.996091 Ca\n0.535000 0.125233 0.495643 Ca\n0.530439 0.123733 0.995170 Ca\n0.524355 0.634107 0.510732 Ca\n0.523878 0.624785 0.979631 Ca\n0.496400 0.371408 0.509050 Ca\n0.480887 0.873272 0.998905 Ca\n0.478985 0.873490 0.508906 Ca\n0.973663 0.383011 0.004597 Ca\n0.961485 0.384381 0.499038 Ca\n0.978721 0.873660 0.006345 Ca\n0.973868 0.872587 0.503031 Ca\n0.234171 0.391119 0.763368 Ca\n0.233157 0.875779 0.245406 Ca\n0.227759 0.872027 0.748180 Ca\n0.738261 0.364627 0.244789 Ca\n0.733473 0.374430 0.749198 Ca\n0.733238 0.874344 0.245347 Ca\n0.728801 0.876065 0.741814 Ca\n0.264435 0.114448 0.758319 Ca\n0.240414 0.634030 0.242277 Ca\n0.268836 0.628476 0.755391 Ca\n0.767295 0.120476 0.255052 Ca\n0.778103 0.122157 0.756020 Ca\n0.777268 0.626761 0.254901 Ca\n0.772099 0.625410 0.755077 Ca\n0.002040 -0.000475 0.250902 Mn\n0.997632 0.995473 0.752778 Mn\n0.000726 0.499010 0.251838 Mn\n0.995398 0.499498 0.751582 Mn\n0.496185 0.000516 0.745205 Mn\n0.512055 0.490600 0.241967 Mn\n0.499108 0.500722 0.746494 Mn\n0.250717 0.000127 -0.000769 Mn\n0.249242 0.501934 0.002412 Mn\n0.237451 0.499242 0.511740 Mn\n0.750579 0.996560 0.995394 Mn\n0.745681 0.998371 0.496584 Mn\n0.753360 0.502483 0.999548 Mn\n0.744240 0.504069 0.500555 Mn\n0.252266 0.240394 0.478433 Mn\n0.249557 0.751367 0.998710 Mn\n0.249874 0.750557 0.498772 Mn\n0.762841 0.246286 0.005630 Mn\n0.749451 0.250544 0.503173 Mn\n0.749054 0.750193 0.998968 Mn\n0.748382 0.750778 0.498536 Mn\n0.004292 0.251211 0.762820 Mn\n0.998404 0.752498 0.250375 Mn\n0.998256 0.750080 0.749526 Mn\n0.501649 0.242828 0.247883 Mn\n0.515328 0.242618 0.751689 Mn\n0.497149 0.760063 0.254032 Mn\n0.499271 0.752025 0.751079 Mn\n0.515656 0.998984 0.228702 Al\n0.227378 0.992969 0.516023 Al\n0.275178 0.247013 0.975182 Al\n0.983255 0.250888 0.270220 Al\n0.106472 0.769900 0.106073 O\n0.104772 0.771195 0.604561 O\n0.616365 0.264870 0.116601 O\n0.606218 0.262738 0.603808 O\n0.601581 0.766099 0.105608 O\n0.603119 0.768223 0.604378 O\n0.403856 0.223019 0.393662 O\n0.408851 0.228165 0.886661 O\n0.389893 0.717559 0.388437 O\n0.394310 0.732354 0.895814 O\n0.886082 0.240433 0.398987 O\n0.908650 0.232186 0.911414 O\n0.891608 0.730761 0.392833 O\n0.893438 0.728782 0.894524 O\n0.131895 0.236861 0.348787 O\n0.174059 0.247029 0.816985 O\n0.139740 0.732049 0.359214 O\n0.145013 0.732674 0.852448 O\n0.647345 0.227474 0.355473 O\n0.661252 0.229578 0.861527 O\n0.640305 0.728322 0.353937 O\n0.643824 0.728113 0.854735 O\n0.359873 0.260336 0.134718 O\n0.352454 0.761276 0.147417 O\n0.356039 0.770287 0.644076 O\n0.876929 0.272340 0.142698 O\n0.868051 0.274464 0.640140 O\n0.854210 0.770712 0.145367 O\n0.854909 0.772846 0.642993 O\n0.361172 0.508054 0.161066 O\n0.357413 0.485228 0.639688 O\n0.359444 0.984939 0.142450 O\n0.355739 0.979076 0.633550 O\n0.852714 0.480698 0.150564 O\n0.848782 0.479502 0.646714 O\n0.860862 0.975606 0.139357 O\n0.854678 0.980427 0.643414 O\n0.146446 0.014502 0.364966 O\n0.143038 0.012718 0.855413 O\n0.154730 0.515609 0.356882 O\n0.147279 0.518773 0.853365 O\n0.633418 0.023594 0.359537 O\n0.641908 0.024734 0.852706 O\n0.623708 0.532905 0.359587 O\n0.645095 0.516670 0.851492 O\n0.392633 0.022589 0.892923 O\n0.392595 0.512566 0.895197 O\n0.884952 0.014489 0.384183 O\n0.890839 0.017116 0.890898 O\n0.893496 0.519232 0.396282 O\n0.896761 0.519276 0.899619 O\n0.104859 0.483530 0.107212 O\n0.094158 0.475694 0.612262 O\n0.109248 0.982617 0.107866 O\n0.098865 0.975532 0.613556 O\n0.609866 0.491875 0.100977 O\n0.599022 0.487969 0.599773 O\n0.613633 0.976689 0.099976 O\n0.602942 0.981264 0.602479 O\n0.011963 0.374782 0.283099 O\n0.010536 0.376037 0.792727 O\n0.011321 0.875111 0.289314 O\n0.006752 0.873159 0.793401 O\n0.494055 0.372923 0.293550 O\n0.497316 0.370763 0.761442 O\n0.493951 0.889967 0.294537 O\n0.511022 0.876374 0.787522 O\n0.493015 0.118754 0.215270 O\n0.480263 0.124970 0.701119 O\n0.487241 0.626464 0.719939 O\n0.992742 0.128006 0.219176 O\n0.999156 0.126322 0.724821 O\n0.998143 0.625785 0.213944 O\n0.988213 0.625088 0.711545 O\n0.220623 0.136954 0.015585 O\n0.241422 0.122229 0.535776 O\n0.235802 0.626146 0.030178 O\n0.238324 0.624916 0.539659 O\n0.750637 0.121491 0.041704 O\n0.751794 0.125395 0.539926 O\n0.740673 0.626687 0.039000 O\n0.743083 0.627290 0.540248 O\n0.268990 0.362959 0.499508 O\n0.248130 0.369041 0.985464 O\n0.262945 0.877348 0.461230 O\n0.264275 0.875883 0.963213 O\n0.741781 0.378775 0.461047 O\n0.754821 0.376198 0.965975 O\n0.753296 0.874176 0.459152 O\n0.758673 0.873627 0.955761 O\n",
            "nsites": 154,
            "nelements": 5,
            "elements": [
                "Sr",
                "Ca",
                "Mn",
                "Al",
                "O"
            ],
            "chemical_system": "Al-Ca-Mn-O-Sr",
            "density": 4.241945946327293,
            "density_atomic": 0.08629508863969271,
            "volume": 1784.5743300988443,
            "volume_molar": 6.97854403411555,
            "formula_full": "Sr4 Ca28 Mn28 Al4 O90",
            "formula_reduced": "Sr2Ca14Mn14Al2O45",
            "formula_anonymous": "A2B2C14D14E45",
            "energy": -1178.05434703,
            "energy_per_atom": -7.6497035521428565,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1069.52034703,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 92.0000011,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:07.063000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-680380",
            "created_at": "2022-09-04T14:44:30.246014Z",
            "structure_string": "Ca28 Ta28 O98\n1.0\n7.391778 0.003342 -0.643461\n-3.696634 6.433297 -0.005576\n0.016576 0.008271 42.936321\nCa Ta O\n28 28 98\ndirect\n0.023380 0.515293 0.002388 Ca\n0.717726 0.840760 0.572589 Ca\n0.638388 0.059538 0.212473 Ca\n0.554681 0.263909 0.356204 Ca\n0.224997 0.111486 0.857975 Ca\n0.253510 0.367022 0.142025 Ca\n0.841448 0.408321 0.285582 Ca\n0.127044 0.042526 0.710795 Ca\n0.122739 0.555866 0.714418 Ca\n0.907705 0.198478 0.643796 Ca\n0.775658 0.141051 0.428414 Ca\n0.847065 0.425915 0.787527 Ca\n0.877812 0.675698 0.073177 Ca\n0.746881 0.861459 0.140780 Ca\n0.223910 0.856569 0.569305 Ca\n0.331732 0.416250 0.289205 Ca\n0.260155 0.871321 0.141420 Ca\n0.512088 0.512088 0.000000 Ca\n0.729901 0.118735 0.858580 Ca\n0.712637 0.347244 0.571586 Ca\n0.720679 0.606101 0.859220 Ca\n0.992507 0.492507 0.500000 Ca\n0.840618 0.905558 0.287934 Ca\n0.512905 0.020992 0.997612 Ca\n0.617623 0.552684 0.712066 Ca\n0.287264 0.654605 0.430695 Ca\n0.602522 0.804635 0.926823 Ca\n0.268170 0.145136 0.427411 Ca\n0.130445 0.041931 0.211209 Ta\n0.135567 0.547440 0.216040 Ta\n0.830722 0.919235 0.788791 Ta\n0.379041 0.189232 0.069281 Ta\n0.920058 0.699794 0.641961 Ta\n0.650784 0.077988 0.715978 Ta\n0.494425 0.994425 0.500000 Ta\n0.057833 0.278097 0.358039 Ta\n0.772919 0.606803 0.428377 Ta\n0.558618 0.773777 0.358856 Ta\n0.058548 0.774127 0.356081 Ta\n0.753696 0.376026 0.144195 Ta\n0.971329 0.971329 0.000000 Ta\n0.418046 0.702467 0.643919 Ta\n0.991741 0.991058 0.498108 Ta\n0.328579 0.415316 0.781476 Ta\n0.178426 0.344541 0.571623 Ta\n0.633840 0.547103 0.218524 Ta\n0.119951 0.309760 0.930719 Ta\n0.362010 0.934806 0.284022 Ta\n0.331401 0.919527 0.783960 Ta\n0.492949 0.493632 0.501892 Ta\n0.620599 0.312199 0.929373 Ta\n0.231831 0.609501 0.855805 Ta\n0.382826 0.691226 0.070627 Ta\n0.882455 0.190264 0.071759 Ta\n0.118505 0.810696 0.928241 Ta\n0.414920 0.199762 0.641144 Ta\n0.150882 0.376848 0.884848 O\n0.011391 0.234099 0.310914 O\n0.386822 0.689118 0.493604 O\n0.411454 0.610964 0.205451 O\n0.617065 0.743420 0.404022 O\n0.930225 0.902336 0.453378 O\n0.405513 0.206003 0.794549 O\n0.927366 0.461593 0.839423 O\n0.892221 0.932446 0.834016 O\n0.479518 0.488509 0.062880 O\n0.641175 0.577788 0.263548 O\n0.712377 0.795784 0.637056 O\n0.054405 0.029936 0.915547 O\n0.344269 0.838993 0.371805 O\n0.931006 0.200133 0.593112 O\n0.114389 0.138858 0.084453 O\n0.102746 0.248277 0.975176 O\n0.104522 0.858086 0.973729 O\n0.905483 0.182576 0.695333 O\n0.528638 0.771173 0.875266 O\n0.487242 0.210149 0.304667 O\n0.925687 0.707012 0.595682 O\n0.814520 0.612994 0.920812 O\n0.376628 0.426963 0.656993 O\n0.070493 0.261501 0.225439 O\n0.817873 0.209499 0.921857 O\n0.940546 0.469566 0.351009 O\n0.843912 0.455490 0.226074 O\n0.884356 0.130793 0.026271 O\n0.486507 0.808509 0.314349 O\n0.390640 0.667099 0.117443 O\n0.036062 0.845054 0.774561 O\n0.633847 0.020788 0.796275 O\n0.005848 0.750147 0.401506 O\n0.356864 0.473282 0.351151 O\n0.444523 0.996005 0.453346 O\n0.215823 0.633615 0.261460 O\n0.697907 0.852808 0.977619 O\n0.637642 0.501771 0.170423 O\n0.653105 0.244467 0.057507 O\n0.636808 0.612382 0.787789 O\n0.107272 0.798437 0.311813 O\n0.607021 0.337894 0.406888 O\n0.425685 0.014019 0.936796 O\n0.287642 0.896016 0.078143 O\n0.942178 0.503493 0.449433 O\n0.492000 0.266034 0.115152 O\n0.613354 0.031510 0.263615 O\n0.186960 0.595598 0.942493 O\n0.033957 0.211786 0.783765 O\n0.054060 0.492745 0.550567 O\n0.542659 0.991177 0.546654 O\n0.339398 0.213043 0.595978 O\n0.372154 0.954363 0.738540 O\n0.692182 0.893708 0.079188 O\n0.769970 0.719635 0.343007 O\n0.602558 0.299817 0.507200 O\n0.448958 0.476848 0.546622 O\n0.208488 0.268142 0.486482 O\n0.875189 0.720288 0.022381 O\n0.544646 0.515940 0.456146 O\n0.077223 0.488889 0.063204 O\n0.122131 0.005713 0.648849 O\n0.895908 0.653372 0.124734 O\n0.374980 0.718050 0.024353 O\n0.024109 0.464167 0.171197 O\n0.195513 0.893218 0.506396 O\n0.824593 0.849019 0.212211 O\n0.098430 0.058205 0.165984 O\n0.428021 0.250192 0.216235 O\n0.273102 0.127571 0.024824 O\n0.792618 0.095359 0.492800 O\n0.767895 0.349739 0.736385 O\n0.162401 0.991019 0.258383 O\n0.467189 0.972464 0.628195 O\n0.622170 0.087943 0.160577 O\n0.710996 0.396297 0.634544 O\n0.331348 0.467219 0.829577 O\n0.425629 0.416638 0.937120 O\n0.059794 0.088500 0.543854 O\n0.229417 0.617838 0.773926 O\n0.224513 0.837572 0.203725 O\n0.118558 0.589538 0.648991 O\n0.158728 0.075322 0.362944 O\n0.149942 0.773592 0.884592 O\n0.348641 0.604341 0.598494 O\n0.781660 0.722005 0.513518 O\n0.549656 0.273197 0.882557 O\n0.292970 0.852911 0.828803 O\n0.732636 0.904019 0.741617 O\n0.923184 0.700476 0.689086 O\n0.314241 0.377627 0.736452 O\n0.111330 0.330004 0.404318 O\n0.693697 0.350627 0.975647 O\n0.761753 0.076452 0.365456 O\n0.494160 0.172158 0.685651 O\n0.889000 0.265350 0.115408 O\n0.486624 0.795459 0.688187 O\n",
            "nsites": 154,
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            "elements": [
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            "chemical_system": "Ca-O-Ta",
            "density": 6.306453154850821,
            "density_atomic": 0.07540180028729022,
            "volume": 2042.391553162403,
            "volume_molar": 7.986733389726632,
            "formula_full": "Ca28 Ta28 O98",
            "formula_reduced": "Ca2Ta2O7",
            "formula_anonymous": "A2B2C7",
            "energy": -1409.77174349,
            "energy_per_atom": -9.154361970714286,
            "energy_above_hull": null,
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            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1342.44574349,
            "band_gap": 3.3219000000000003,
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            "updated_at": "2021-11-28T01:36:38.946000Z",
            "spacegroup": 5
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        {
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            "created_at": "2022-09-04T14:43:53.679989Z",
            "structure_string": "Ti48 Ga10 S96\n1.0\n5.789961 0.000038 4.094360\n0.014770 42.478185 73.677974\n0.002570 0.000381 12.279443\nTi Ga S\n48 10 96\ndirect\n0.145453 0.000018 0.625826 Ti\n0.625739 0.038012 0.146185 Ti\n0.602675 0.000015 0.625837 Ti\n0.148322 0.081543 0.624532 Ti\n0.610560 0.120330 0.167452 Ti\n0.618878 0.040526 0.637961 Ti\n0.624114 0.081541 0.624527 Ti\n0.148460 0.168446 0.603073 Ti\n0.618916 0.209455 0.124356 Ti\n0.610536 0.129680 0.611393 Ti\n0.624047 0.168447 0.603050 Ti\n0.145683 0.249980 0.625973 Ti\n0.625299 0.288021 0.146572 Ti\n0.625709 0.212007 0.602250 Ti\n0.602612 0.249984 0.625957 Ti\n0.146889 0.331643 0.624398 Ti\n0.610822 0.370407 0.166749 Ti\n0.619049 0.290289 0.639210 Ti\n0.624586 0.331645 0.624401 Ti\n0.165303 0.416593 0.612031 Ti\n0.611739 0.453834 0.165259 Ti\n0.611401 0.379336 0.612584 Ti\n0.611527 0.416596 0.611987 Ti\n0.163913 0.500100 0.611818 Ti\n0.612502 0.537465 0.162689 Ti\n0.612034 0.462762 0.611379 Ti\n0.611265 0.500099 0.611841 Ti\n0.162380 0.583366 0.612457 Ti\n0.612645 0.620856 0.162211 Ti\n0.612540 0.545860 0.612299 Ti\n0.612327 0.583367 0.612422 Ti\n0.162994 0.666623 0.612734 Ti\n0.612391 0.704084 0.163102 Ti\n0.612404 0.629213 0.612314 Ti\n0.612085 0.666622 0.612719 Ti\n0.163820 0.749897 0.613060 Ti\n0.612512 0.712540 0.612249 Ti\n0.612115 0.787250 0.164379 Ti\n0.611304 0.749897 0.613051 Ti\n0.164522 0.833409 0.611394 Ti\n0.611646 0.870761 0.163785 Ti\n0.612014 0.796063 0.611608 Ti\n0.611778 0.833406 0.611399 Ti\n0.146750 0.918372 0.604041 Ti\n0.618999 0.959725 0.122649 Ti\n0.610973 0.879573 0.611600 Ti\n0.624707 0.918372 0.604047 Ti\n0.625362 0.961946 0.602950 Ti\n0.000857 0.083752 0.996636 Ga\n0.000847 0.166243 0.001706 Ga\n0.000064 0.334182 0.994852 Ga\n0.000863 0.417189 0.996010 Ga\n0.000115 0.499873 0.000648 Ga\n0.000052 0.583279 0.000282 Ga\n0.000053 0.666720 0.999634 Ga\n0.000125 0.750134 0.999071 Ga\n0.000855 0.832816 0.002240 Ga\n0.000061 0.915815 0.005053 Ga\n0.373815 0.000016 0.380659 S\n0.381270 0.041071 0.372294 S\n0.379219 0.082554 0.381951 S\n0.864662 0.000015 0.380669 S\n0.390124 0.999982 0.868460 S\n0.870436 0.039017 0.395491 S\n0.376608 0.122982 0.385507 S\n0.376622 0.042080 0.870904 S\n0.873220 0.999979 0.868445 S\n0.379175 0.167459 0.372534 S\n0.866246 0.082555 0.381939 S\n0.398001 0.083866 0.865043 S\n0.868319 0.044370 0.865462 S\n0.864475 0.122786 0.398806 S\n0.376557 0.127016 0.861346 S\n0.376645 0.207929 0.375800 S\n0.865499 0.083860 0.865088 S\n0.373847 0.249986 0.380885 S\n0.866250 0.167458 0.372532 S\n0.398064 0.166146 0.871385 S\n0.381204 0.291061 0.372421 S\n0.864445 0.127220 0.872222 S\n0.868233 0.205641 0.397922 S\n0.381290 0.208953 0.864967 S\n0.865406 0.166152 0.871350 S\n0.379818 0.332624 0.381538 S\n0.864534 0.249981 0.380916 S\n0.390141 0.250007 0.868235 S\n0.377043 0.372955 0.385219 S\n0.870417 0.211002 0.863596 S\n0.870817 0.289147 0.394313 S\n0.376665 0.292130 0.870542 S\n0.873338 0.250010 0.868201 S\n0.375055 0.416694 0.374940 S\n0.865628 0.332627 0.381493 S\n0.397394 0.333883 0.865099 S\n0.375323 0.458260 0.375099 S\n0.868273 0.294405 0.865320 S\n0.374416 0.374855 0.876469 S\n0.865433 0.373029 0.396402 S\n0.865814 0.333880 0.865112 S\n0.374917 0.500019 0.375383 S\n0.874773 0.416696 0.374927 S\n0.400188 0.416751 0.865965 S\n0.375290 0.541753 0.374171 S\n0.866592 0.455488 0.400465 S\n0.866175 0.378021 0.865679 S\n0.375414 0.458351 0.874470 S\n0.866861 0.416751 0.865995 S\n0.375255 0.583331 0.375372 S\n0.874151 0.500019 0.375352 S\n0.399706 0.499948 0.867069 S\n0.375436 0.624985 0.374657 S\n0.866313 0.461299 0.865882 S\n0.867006 0.538864 0.399790 S\n0.375418 0.541736 0.874147 S\n0.866792 0.499947 0.867084 S\n0.375241 0.666667 0.375464 S\n0.874078 0.583331 0.375369 S\n0.399441 0.583327 0.866859 S\n0.866923 0.544363 0.866888 S\n0.375537 0.708244 0.374993 S\n0.866889 0.622280 0.399423 S\n0.375539 0.625035 0.874255 S\n0.866917 0.583329 0.866864 S\n0.374937 0.749962 0.375677 S\n0.873858 0.666667 0.375464 S\n0.399458 0.666681 0.866651 S\n0.375318 0.708230 0.875300 S\n0.866979 0.627738 0.866578 S\n0.866891 0.705609 0.399431 S\n0.375376 0.791650 0.374721 S\n0.867076 0.666677 0.866688 S\n0.374879 0.833306 0.375216 S\n0.874216 0.749961 0.375664 S\n0.399628 0.750017 0.866679 S\n0.866926 0.711118 0.866341 S\n0.866426 0.788705 0.401327 S\n0.375192 0.791714 0.874498 S\n0.374304 0.875164 0.374728 S\n0.866813 0.750018 0.866688 S\n0.379847 0.917381 0.372966 S\n0.875053 0.833304 0.375219 S\n0.400054 0.833258 0.867026 S\n0.377044 0.877043 0.860694 S\n0.866597 0.794486 0.866478 S\n0.866161 0.872010 0.401769 S\n0.376743 0.957883 0.375960 S\n0.866798 0.833256 0.867056 S\n0.865640 0.917380 0.372973 S\n0.397305 0.916141 0.871520 S\n0.865552 0.876975 0.872589 S\n0.868231 0.955598 0.398184 S\n0.381189 0.958925 0.865240 S\n0.865947 0.916144 0.871513 S\n0.870781 0.960843 0.864181 S\n",
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}