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{
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{
"id": "mp-1101227",
"created_at": "2022-09-04T14:40:05.055752Z",
"structure_string": "V6 O3 F15\n1.0\n4.629860 0.000000 0.000000\n-0.068514 8.521146 0.000000\n-0.020407 -4.224771 7.468360\nV O F\n6 3 15\ndirect\n0.998146 0.334894 0.992608 V\n0.520003 0.019149 0.676508 V\n0.983202 0.659439 0.645504 V\n0.505256 0.337808 0.334119 V\n0.993959 0.994307 0.328384 V\n0.517535 0.688195 0.002346 V\n0.738105 0.202029 0.783125 O\n0.768248 0.550091 0.463469 O\n0.733181 0.870805 0.114338 O\n0.246471 0.118790 0.882289 F\n0.253712 0.465198 0.912398 F\n0.249200 0.091374 0.552587 F\n0.241087 0.752205 0.870996 F\n0.752046 0.570506 0.783905 F\n0.747302 0.209444 0.428316 F\n0.748280 0.878893 0.763010 F\n0.254872 0.449015 0.545034 F\n0.260488 0.791087 0.581465 F\n0.242131 0.117646 0.238475 F\n0.745368 0.900147 0.452842 F\n0.754364 0.240572 0.121424 F\n0.256024 0.428488 0.211789 F\n0.246887 0.786389 0.214588 F\n0.742851 0.547810 0.091645 F\n",
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{
"id": "mp-1234493",
"created_at": "2022-09-04T14:40:05.104080Z",
"structure_string": "Sr6 Mg1 Te8 O22\n1.0\n7.228988 0.029092 -2.457183\n-2.704595 9.317814 -1.627047\n0.271443 -0.251566 10.050064\nSr Mg Te O\n6 1 8 22\ndirect\n0.300806 0.043030 0.271201 Sr\n0.760094 0.960063 0.884949 Sr\n0.848333 0.085914 0.332200 Sr\n0.102530 0.882666 0.636729 Sr\n0.312206 0.537554 0.630490 Sr\n0.661806 0.438364 0.390391 Sr\n0.346503 0.038956 0.970227 Mg\n0.070646 0.370858 0.200429 Te\n0.858839 0.613282 0.758489 Te\n0.056841 0.228351 0.767861 Te\n0.898196 0.742883 0.198141 Te\n0.392412 0.748150 0.011478 Te\n0.575964 0.306743 0.965017 Te\n0.460845 0.764458 0.435904 Te\n0.572621 0.172388 0.616228 Te\n0.985441 0.557176 0.629476 O\n0.945661 0.447670 0.318785 O\n0.393235 0.558632 0.381679 O\n0.616123 0.486603 0.637899 O\n0.842287 0.224731 0.060960 O\n0.205363 0.828588 0.889313 O\n0.768085 0.071586 0.673643 O\n0.266837 0.795951 0.285118 O\n0.352329 0.779597 0.581969 O\n0.626441 0.197531 0.437662 O\n0.085377 0.150948 0.592201 O\n0.944736 0.859779 0.384193 O\n0.479168 0.251822 0.108225 O\n0.519391 0.731060 0.876518 O\n0.507827 0.952463 0.122912 O\n0.494277 0.108108 0.849317 O\n0.939120 0.909720 0.126943 O\n0.104009 0.084674 0.866084 O\n0.154487 0.242437 0.306475 O\n0.809391 0.775212 0.696005 O\n0.627078 0.685989 0.157670 O\n0.339693 0.351774 0.849997 O\n",
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"elements": [
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],
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"formula_full": "Sr6 Mg1 Te8 O22",
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"energy": -227.19484498,
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{
"id": "mp-863388",
"created_at": "2022-09-04T14:40:05.158493Z",
"structure_string": "Li6 V6 P16 O58\n1.0\n-9.688219 0.000000 0.000000\n4.785973 8.470254 0.000000\n-0.127034 -0.342516 -14.369179\nLi V P O\n6 6 16 58\ndirect\n0.773044 0.679026 0.939843 Li\n0.091776 0.325242 0.559551 Li\n0.905414 0.674352 0.439148 Li\n0.682527 0.914709 0.057655 Li\n0.079099 0.066425 0.009403 Li\n0.991148 0.994949 0.500228 Li\n0.996139 0.434370 0.755857 V\n0.003577 0.563769 0.241620 V\n0.433906 0.432290 0.251302 V\n0.557989 0.561712 0.746144 V\n0.435681 0.999262 0.746231 V\n0.559114 0.001398 0.257894 V\n0.302422 0.080819 0.161049 P\n0.301375 0.215235 0.660194 P\n0.786147 0.080556 0.662856 P\n0.662811 0.334588 0.866375 P\n0.672396 0.342996 0.365243 P\n0.911789 0.210112 0.163067 P\n0.087432 0.315243 0.343092 P\n0.769777 0.681513 0.155723 P\n0.225220 0.310780 0.842985 P\n0.908821 0.681323 0.655134 P\n0.087058 0.787485 0.833583 P\n0.326059 0.660336 0.633441 P\n0.341298 0.667819 0.134377 P\n0.210702 0.915253 0.342418 P\n0.696116 0.782252 0.336919 P\n0.685811 0.912002 0.843075 P\n0.183071 0.988707 0.426462 O\n0.344989 0.082245 0.663263 O\n0.212854 0.225954 0.928688 O\n0.344970 0.257443 0.171561 O\n0.458109 0.074497 0.176238 O\n0.521777 0.186950 0.817742 O\n0.621277 0.072154 0.670842 O\n0.758356 0.982104 0.935188 O\n0.734641 0.078677 0.166132 O\n0.521375 0.336055 0.321889 O\n0.458954 0.376683 0.671776 O\n0.669303 0.189952 0.321823 O\n0.668706 0.337058 0.969355 O\n0.680671 0.352970 0.468280 O\n0.814686 0.334847 0.821750 O\n0.617296 0.524666 0.173296 O\n0.667773 0.484903 0.826090 O\n0.918855 0.258374 0.667923 O\n0.985898 0.194192 0.260230 O\n0.022062 0.243727 0.434547 O\n0.994021 0.184775 0.082776 O\n0.920566 0.375761 0.170659 O\n0.817983 0.488043 0.320218 O\n0.089739 0.352248 0.831163 O\n0.911989 0.527009 0.673113 O\n0.735944 0.648674 0.671672 O\n0.203068 0.197280 0.754241 O\n0.199425 0.202925 0.580108 O\n0.807079 0.803956 0.414134 O\n0.260013 0.346858 0.330348 O\n0.086709 0.470996 0.322995 O\n0.914315 0.653991 0.163956 O\n0.179799 0.511160 0.673300 O\n0.083261 0.624797 0.825213 O\n0.995027 0.800539 0.913413 O\n0.968762 0.754121 0.563419 O\n0.011778 0.803882 0.736871 O\n0.080316 0.737493 0.332383 O\n0.338805 0.523112 0.181489 O\n0.383661 0.465499 0.827707 O\n0.187981 0.666985 0.175965 O\n0.347670 0.668885 0.031408 O\n0.331059 0.654218 0.530459 O\n0.328347 0.810474 0.677241 O\n0.542895 0.620823 0.329607 O\n0.474979 0.662305 0.681586 O\n0.260772 0.922150 0.830526 O\n0.194025 0.996715 0.250416 O\n0.210801 0.005565 0.075483 O\n0.377120 0.923951 0.331635 O\n0.487173 0.816427 0.179337 O\n0.528723 0.911991 0.822714 O\n0.656559 0.739313 0.834725 O\n0.767955 0.758050 0.066597 O\n0.789868 0.802478 0.239227 O\n0.653360 0.916945 0.334786 O\n0.815789 0.001902 0.581825 O\n0.804126 0.006995 0.759806 O\n",
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"volume": 1179.1589077139051,
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"formula_full": "Li6 V6 P16 O58",
"formula_reduced": "Li3V3P8O29",
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{
"id": "mp-1177882",
"created_at": "2022-09-04T14:40:07.668041Z",
"structure_string": "Li4 Mn2 V2 P4 H4 O20\n1.0\n6.955908 0.000000 0.000000\n-0.102287 7.495717 0.000000\n-0.216182 -3.553798 7.010271\nLi Mn V P H O\n4 2 2 4 4 20\ndirect\n0.161349 0.584701 0.762741 Li\n0.340583 0.914079 0.739938 Li\n0.658739 0.088871 0.261255 Li\n0.838227 0.413136 0.235132 Li\n0.251165 0.749673 0.249449 Mn\n0.501728 0.499971 0.500979 Mn\n0.999175 0.999997 0.000819 V\n0.748497 0.251270 0.750746 V\n0.590800 0.726625 0.961321 P\n0.097481 0.227380 0.458758 P\n0.907133 0.775459 0.540693 P\n0.404966 0.271443 0.039836 P\n0.042678 0.320563 0.980768 H\n0.545241 0.813277 0.483299 H\n0.455942 0.184822 0.517438 H\n0.956074 0.679275 0.017375 H\n0.054328 0.837519 0.712555 O\n0.012426 0.692837 0.347660 O\n0.439741 0.669757 0.796159 O\n0.717540 0.906815 0.981363 O\n0.076216 0.756317 0.026538 O\n0.221198 0.409139 0.477129 O\n0.424687 0.736461 0.474890 O\n0.720935 0.549416 0.931546 O\n0.504047 0.188324 0.843219 O\n0.776088 0.950811 0.567897 O\n0.227481 0.053047 0.434138 O\n0.491200 0.810131 0.158634 O\n0.275589 0.447488 0.067241 O\n0.577857 0.261424 0.527918 O\n0.782419 0.592757 0.518805 O\n0.921280 0.243178 0.968529 O\n0.278690 0.091854 0.022631 O\n0.558090 0.329185 0.204674 O\n0.992530 0.309284 0.650965 O\n0.947880 0.163714 0.286964 O\n",
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"formula_full": "Li4 Mn2 V2 P4 H4 O20",
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{
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"structure_string": "Li7 V1 O5 F1\n1.0\n5.377886 0.000000 0.000000\n-2.640939 4.713485 0.000000\n-0.036844 -3.107064 5.030921\nLi V O F\n7 1 5 1\ndirect\n0.233851 0.829975 0.631553 Li\n0.472778 0.567624 0.331811 Li\n0.289509 0.595521 0.027513 Li\n0.744817 0.332562 0.014212 Li\n0.485052 0.469502 0.643080 Li\n0.912555 0.192742 0.613660 Li\n0.782876 0.140878 0.373544 Li\n0.958233 0.993391 0.982924 V\n0.074836 0.384680 0.232562 O\n0.235705 0.247619 0.818449 O\n0.613209 0.037944 0.740873 O\n0.771853 0.693743 0.219870 O\n0.911779 0.624969 0.759807 O\n0.408547 0.990848 0.257643 F\n",
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"formula_full": "Li7 V1 O5 F1",
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{
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"created_at": "2022-09-04T14:40:11.822256Z",
"structure_string": "Mg8 Si12\n1.0\n3.859583 0.000000 0.000000\n1.887279 5.936855 0.000000\n1.035808 2.036101 17.302538\nMg Si\n8 12\ndirect\n0.205857 0.009231 0.246736 Mg\n0.091809 0.906475 0.749268 Mg\n0.291576 0.947631 0.070217 Mg\n0.878805 0.231342 0.911121 Mg\n0.803946 0.447449 0.735339 Mg\n0.479638 0.458246 0.251717 Mg\n0.917556 0.373939 0.568255 Mg\n0.394494 0.515769 0.422054 Mg\n0.596576 0.321148 0.058382 Si\n0.402962 0.644856 0.962419 Si\n0.043279 0.379356 0.137920 Si\n0.829517 0.817297 0.904581 Si\n0.482482 0.172306 0.671128 Si\n0.831113 0.716215 0.318959 Si\n0.228725 0.779960 0.538832 Si\n0.091474 0.114590 0.447007 Si\n0.692594 0.808608 0.621442 Si\n0.628364 0.088700 0.364512 Si\n0.853862 0.757122 0.175997 Si\n0.255225 0.509741 0.844053 Si\n",
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{
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"structure_string": "Li1 Ti1 Fe5 O8\n1.0\n-4.371981 0.004742 -4.453987\n4.367533 -4.368010 -0.011390\n-4.359661 -4.358532 -0.007416\nLi Ti Fe O\n1 1 5 8\ndirect\n0.214199 0.128199 0.650997 Li\n0.557540 0.004073 0.468454 Ti\n0.280788 0.124342 0.111318 Fe\n0.715244 0.857372 0.889158 Fe\n0.580173 0.562082 0.458150 Fe\n0.013468 0.505082 0.980556 Fe\n0.012105 0.504062 0.506074 Fe\n0.034622 0.742464 0.232589 O\n0.990380 0.224432 0.254413 O\n0.512124 0.245287 0.723672 O\n0.510727 0.244789 0.269265 O\n0.013052 0.277184 0.743333 O\n0.054097 0.779266 0.722598 O\n0.506405 0.771228 0.273449 O\n0.505076 0.769720 0.715974 O\n",
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"volume": 169.67951384807654,
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"formula_full": "Li1 Ti1 Fe5 O8",
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{
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{
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{
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"structure_string": "Ca1 La2 Co2 Sb2 Pb2 O12\n1.0\n6.074095 0.100225 0.051288\n0.101841 6.206686 0.108360\n0.075720 0.157960 8.126631\nCa La Co Sb Pb O\n1 2 2 2 2 12\ndirect\n0.956003 0.711058 0.571427 Ca\n0.485925 0.467470 0.803850 La\n0.986314 0.997452 0.207676 La\n0.025852 0.325724 0.418772 Co\n0.530143 0.991558 0.002392 Co\n0.984821 0.516070 0.014626 Sb\n0.501634 0.013573 0.499739 Sb\n0.483436 0.584816 0.277138 Pb\n0.059429 0.095730 0.794874 Pb\n0.601244 0.963683 0.260193 O\n0.080016 0.482097 0.770969 O\n0.457427 0.081231 0.746296 O\n0.923158 0.550905 0.262618 O\n0.228075 0.863960 0.427411 O\n0.730950 0.708109 0.944856 O\n0.826476 0.094209 0.512741 O\n0.218650 0.272511 0.042318 O\n0.338109 0.300520 0.473359 O\n0.777840 0.265045 0.986585 O\n0.591229 0.698589 0.567095 O\n0.201361 0.755272 0.023396 O\n",
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],
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{
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"structure_string": "La2 Cr2 W2 O12\n1.0\n-2.760657 2.713327 3.910017\n2.768079 2.720022 3.919241\n0.006432 5.633089 -7.692864\nLa Cr W O\n2 2 2 12\ndirect\n0.872280 0.890124 0.128837 La\n0.372211 0.390111 0.628817 La\n0.753849 0.756427 0.755072 Cr\n0.254042 0.256388 0.255250 Cr\n0.505557 0.506984 0.004861 W\n0.005396 0.006893 0.504611 W\n0.307332 0.452522 0.126201 O\n0.807103 0.952440 0.625904 O\n0.855151 0.365258 0.146636 O\n0.355238 0.864975 0.646409 O\n0.659125 0.126956 0.357997 O\n0.159248 0.626967 0.858135 O\n0.127039 0.615497 0.403197 O\n0.627233 0.115432 0.903265 O\n0.394509 0.890488 0.112813 O\n0.894510 0.390442 0.612685 O\n0.185882 0.076920 0.385292 O\n0.686060 0.577055 0.885428 O\n",
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{
"id": "mp-1247619",
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"structure_string": "Ca32 Mn24 Al8 O92\n1.0\n10.782240 -0.007032 -0.031843\n-0.009700 15.094284 0.016490\n-0.031176 0.011651 10.678460\nCa Mn Al O\n32 24 8 92\ndirect\n0.020902 0.122781 0.496873 Ca\n0.018440 0.120924 0.996877 Ca\n0.022352 0.624480 0.495418 Ca\n0.025414 0.623606 0.996399 Ca\n0.513599 0.131083 0.502292 Ca\n0.525706 0.124875 0.979167 Ca\n0.524071 0.624127 0.499314 Ca\n0.516225 0.621931 0.994730 Ca\n0.486361 0.375373 0.998220 Ca\n0.477237 0.380510 0.510208 Ca\n0.484071 0.871975 0.990921 Ca\n0.479525 0.871291 0.512087 Ca\n0.975325 0.380705 0.003922 Ca\n0.981449 0.374692 0.501109 Ca\n0.979024 0.876382 0.008279 Ca\n0.975512 0.876564 0.503639 Ca\n0.233401 0.382761 0.252601 Ca\n0.228659 0.373513 0.736105 Ca\n0.228121 0.878146 0.245621 Ca\n0.234687 0.876595 0.751222 Ca\n0.735968 0.380310 0.246556 Ca\n0.728082 0.375940 0.747837 Ca\n0.738355 0.868022 0.244411 Ca\n0.723550 0.874750 0.744908 Ca\n0.244055 0.122744 0.260431 Ca\n0.272450 0.123180 0.734252 Ca\n0.272197 0.625092 0.251664 Ca\n0.268589 0.622224 0.757641 Ca\n0.773037 0.122060 0.256518 Ca\n0.767752 0.123474 0.755560 Ca\n0.774233 0.623728 0.255263 Ca\n0.773673 0.624741 0.754459 Ca\n-0.000104 0.001435 0.250857 Mn\n0.997629 0.999092 0.751943 Mn\n0.002432 0.499097 0.247508 Mn\n0.003284 0.498930 0.750855 Mn\n0.499222 0.501253 0.250789 Mn\n0.498623 0.499937 0.752541 Mn\n0.254682 0.007162 0.003045 Mn\n0.251232 0.499995 0.499862 Mn\n0.749143 0.998540 0.995990 Mn\n0.742463 0.000854 0.501512 Mn\n0.748856 0.501077 0.000639 Mn\n0.752066 0.499467 0.500796 Mn\n0.250601 0.749428 0.003998 Mn\n0.250761 0.751734 0.499273 Mn\n0.752793 0.247764 0.001371 Mn\n0.751896 0.249068 0.502436 Mn\n0.750041 0.748777 0.999151 Mn\n0.750604 0.749696 0.500304 Mn\n0.999039 0.248977 0.743863 Mn\n0.001813 0.749546 0.250103 Mn\n0.001612 0.750764 0.750490 Mn\n0.500629 0.248797 0.743625 Mn\n0.501105 0.749231 0.252171 Mn\n0.498612 0.749597 0.750732 Mn\n0.514664 0.981721 0.234015 Al\n0.497016 0.999501 0.744830 Al\n0.233528 0.995766 0.514452 Al\n0.250494 0.495969 0.003859 Al\n0.254949 0.245641 0.962253 Al\n0.247131 0.247017 0.489651 Al\n0.987303 0.249615 0.270167 Al\n0.520754 0.262110 0.268164 Al\n0.105134 0.263751 0.601807 O\n0.105853 0.770827 0.104260 O\n0.104661 0.773064 0.602645 O\n0.576952 0.251962 0.111560 O\n0.602630 0.270302 0.598469 O\n0.606785 0.772483 0.105158 O\n0.604934 0.766943 0.603896 O\n0.394209 0.217065 0.349131 O\n0.398586 0.233663 0.886414 O\n0.396864 0.727693 0.397693 O\n0.397036 0.732992 0.898728 O\n0.894581 0.230355 0.406139 O\n0.898392 0.231391 0.902693 O\n0.896371 0.730886 0.396579 O\n0.896312 0.727643 0.896085 O\n0.141484 0.240525 0.346858 O\n0.140158 0.228496 0.847106 O\n0.147398 0.730269 0.352584 O\n0.148745 0.732636 0.853506 O\n0.653716 0.230646 0.355511 O\n0.648051 0.230258 0.854435 O\n0.647798 0.727490 0.353605 O\n0.645031 0.729664 0.853624 O\n0.359743 0.263611 0.632062 O\n0.355755 0.772770 0.148298 O\n0.353120 0.770173 0.646865 O\n0.863535 0.269246 0.144909 O\n0.850478 0.270812 0.650480 O\n0.857118 0.768001 0.143890 O\n0.855241 0.772410 0.646601 O\n0.357115 0.484514 0.145845 O\n0.354735 0.479563 0.646452 O\n0.364424 0.004913 0.171698 O\n0.359408 0.986508 0.633479 O\n0.855334 0.481720 0.144952 O\n0.855785 0.479108 0.647329 O\n0.854297 0.980430 0.146185 O\n0.851239 0.977180 0.645664 O\n0.140105 0.013078 0.362964 O\n0.146353 0.027851 0.859713 O\n0.148179 0.518309 0.352557 O\n0.147558 0.510569 0.857380 O\n0.607391 0.033231 0.353109 O\n0.643401 0.016144 0.853749 O\n0.647268 0.519888 0.353723 O\n0.645104 0.520612 0.854761 O\n0.391872 0.021145 0.894766 O\n0.395992 0.522018 0.397496 O\n0.392403 0.509194 0.897100 O\n0.886298 0.022996 0.392711 O\n0.895144 0.019708 0.897157 O\n0.898176 0.517148 0.395928 O\n0.896248 0.517943 0.897965 O\n0.106127 0.485206 0.104662 O\n0.105369 0.478444 0.603502 O\n0.108659 0.984706 0.107992 O\n0.100938 0.981825 0.613558 O\n0.605668 0.478030 0.106297 O\n0.605780 0.482286 0.604618 O\n0.605998 0.981615 0.097927 O\n0.604175 0.981224 0.603706 O\n0.012583 0.372664 0.272977 O\n0.011121 0.373371 0.788309 O\n0.006400 0.875148 0.287436 O\n0.013032 0.875981 0.794398 O\n0.501568 0.377629 0.288126 O\n0.510054 0.374517 0.783844 O\n0.509830 0.872384 0.293238 O\n0.504062 0.875084 0.778862 O\n0.496580 0.124784 0.717930 O\n0.491344 0.625802 0.209251 O\n0.486339 0.624450 0.715016 O\n0.998497 0.129664 0.215867 O\n0.983628 0.124074 0.709230 O\n0.992165 0.625123 0.211947 O\n0.993702 0.625004 0.712027 O\n0.240041 0.146556 0.050523 O\n0.253341 0.120666 0.511127 O\n0.245512 0.626019 0.032926 O\n0.238765 0.625286 0.540896 O\n0.741148 0.123924 0.040061 O\n0.735164 0.124823 0.542207 O\n0.736769 0.624740 0.040244 O\n0.744623 0.625014 0.539789 O\n0.260677 0.373183 0.466325 O\n0.251313 0.357257 0.010198 O\n0.263822 0.879107 0.460884 O\n0.264509 0.882267 0.970950 O\n0.761458 0.374764 0.460700 O\n0.750855 0.373997 0.966739 O\n0.754804 0.876374 0.458474 O\n0.761404 0.873919 0.959099 O\n",
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}
]
}