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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11564",
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"results": [
{
"id": "mp-1283089",
"created_at": "2022-09-04T14:45:58.969806Z",
"structure_string": "Sr4 La4 Co4 O16\n1.0\n-1.936441 -1.926404 6.385877\n0.003137 7.702257 -0.000041\n-7.740264 3.847973 0.000209\nSr La Co O\n4 4 4 16\ndirect\n0.286410 0.732767 0.177547 Sr\n0.285163 0.231883 0.179106 Sr\n0.283055 0.483683 0.678774 Sr\n0.284713 0.979038 0.679696 Sr\n0.716413 0.271742 0.819895 La\n0.717595 0.766503 0.821020 La\n0.713345 0.017516 0.321541 La\n0.712589 0.516891 0.322614 La\n0.007710 0.002430 0.999353 Co\n0.007954 0.253537 0.496714 Co\n0.008232 0.501627 0.000533 Co\n0.008740 0.754668 0.495202 Co\n0.669068 0.875818 0.082028 O\n0.664956 0.370271 0.092856 O\n0.664032 0.628521 0.574822 O\n0.668298 0.125228 0.583754 O\n0.347506 0.132522 0.911144 O\n0.349187 0.629093 0.914064 O\n0.346788 0.880627 0.411944 O\n0.345040 0.378316 0.415789 O\n0.991635 0.121759 0.752166 O\n0.975298 0.615640 0.756136 O\n0.992251 0.876493 0.242941 O\n0.991907 0.367652 0.260953 O\n0.989750 0.252207 0.003980 O\n0.991828 0.739265 0.003690 O\n0.990537 0.990372 0.501013 O\n0.990003 0.503930 0.500729 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Sr",
"La",
"Co",
"O"
],
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"density": 6.095709552864963,
"density_atomic": 0.07353267705897554,
"volume": 380.7830901837439,
"volume_molar": 8.189747743265286,
"formula_full": "Sr4 La4 Co4 O16",
"formula_reduced": "SrLaCoO4",
"formula_anonymous": "ABCD4",
"energy": -211.28344596,
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"updated_at": "2021-11-28T01:37:12.419000Z",
"spacegroup": 1
},
{
"id": "mp-1176917",
"created_at": "2022-09-04T14:45:59.028438Z",
"structure_string": "Li12 V6 P16 O58\n1.0\n-9.812059 0.000000 0.000000\n4.882143 8.527481 0.000000\n-0.005668 -0.011827 -14.010116\nLi V P O\n12 6 16 58\ndirect\n0.776546 0.697208 0.937737 Li\n0.903958 0.666262 0.440945 Li\n0.334508 0.233292 0.443539 Li\n0.667443 0.326870 0.111825 Li\n0.318148 0.089351 0.934280 Li\n0.914734 0.223332 0.940985 Li\n0.764000 0.094876 0.440291 Li\n0.091649 0.775622 0.057116 Li\n0.664589 0.765320 0.562367 Li\n0.100188 0.332507 0.561730 Li\n0.223725 0.315509 0.058516 Li\n0.034706 0.984550 0.510195 Li\n0.431867 0.996002 0.746708 V\n0.564240 0.999163 0.248566 V\n0.000534 0.567057 0.253516 V\n0.999701 0.435986 0.748047 V\n0.564998 0.569048 0.752917 V\n0.436368 0.436612 0.250915 V\n0.770482 0.677141 0.156873 P\n0.909894 0.686362 0.657922 P\n0.317665 0.228949 0.660760 P\n0.668028 0.335266 0.870818 P\n0.665537 0.332361 0.371606 P\n0.319012 0.089278 0.155155 P\n0.225196 0.917834 0.341154 P\n0.908884 0.231033 0.159002 P\n0.088456 0.769580 0.839499 P\n0.772482 0.084617 0.654655 P\n0.685144 0.916842 0.840066 P\n0.330908 0.664036 0.629441 P\n0.331801 0.666939 0.130931 P\n0.687239 0.772774 0.340213 P\n0.086755 0.314098 0.342842 P\n0.230376 0.320057 0.842727 P\n0.773035 0.768923 0.429103 O\n0.740666 0.661676 0.664624 O\n0.998929 0.758381 0.929494 O\n0.921172 0.661558 0.160704 O\n0.627294 0.510008 0.175672 O\n0.673237 0.489110 0.834409 O\n0.470436 0.384170 0.670076 O\n0.247278 0.244138 0.932055 O\n0.329413 0.251151 0.156731 O\n0.810341 0.488275 0.333398 O\n0.907932 0.529949 0.667352 O\n0.511249 0.326797 0.330419 O\n0.677930 0.338279 0.978487 O\n0.661139 0.329250 0.478169 O\n0.516972 0.187821 0.834726 O\n0.888380 0.376402 0.177190 O\n0.817512 0.334856 0.827634 O\n0.344804 0.088079 0.666220 O\n0.205320 0.990159 0.240943 O\n0.206139 0.009920 0.420828 O\n0.249589 0.999814 0.064089 O\n0.487008 0.116117 0.173900 O\n0.673636 0.188002 0.329428 O\n0.251946 0.918436 0.839405 O\n0.620893 0.089866 0.668036 O\n0.918826 0.249469 0.657223 O\n0.998491 0.793270 0.749522 O\n0.983541 0.775065 0.567271 O\n0.997718 0.227465 0.431362 O\n0.083873 0.747968 0.341359 O\n0.383944 0.924061 0.335795 O\n0.745124 0.087387 0.160043 O\n0.321430 0.804344 0.672591 O\n0.525615 0.909293 0.822732 O\n0.772701 0.011360 0.924369 O\n0.775172 0.998183 0.564976 O\n0.788725 0.990566 0.744149 O\n0.669284 0.919587 0.339519 O\n0.183318 0.666699 0.171937 O\n0.101198 0.622031 0.823049 O\n0.474505 0.816017 0.178362 O\n0.332061 0.664444 0.025005 O\n0.325040 0.648708 0.523143 O\n0.485916 0.674802 0.669661 O\n0.086925 0.470493 0.329462 O\n0.183036 0.507517 0.671676 O\n0.660058 0.747897 0.842294 O\n0.790783 0.787505 0.247069 O\n0.758000 0.747920 0.066239 O\n0.528070 0.621292 0.328069 O\n0.337470 0.518864 0.172883 O\n0.378400 0.480027 0.823671 O\n0.082298 0.334872 0.843539 O\n0.003559 0.250680 0.070438 O\n0.002517 0.212241 0.248884 O\n0.253552 0.337854 0.343443 O\n0.223518 0.217223 0.571510 O\n0.209160 0.209397 0.752175 O\n",
"nsites": 92,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.567445358597322,
"density_atomic": 0.07848111866293628,
"volume": 1172.256481143256,
"volume_molar": 7.673362539420623,
"formula_full": "Li12 V6 P16 O58",
"formula_reduced": "Li6V3P8O29",
"formula_anonymous": "A3B6C8D29",
"energy": -695.59297329,
"energy_per_atom": -7.560793187934783,
"energy_above_hull": null,
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"energy_uncorrected": -645.54697329,
"band_gap": 1.0851,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0004304,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.507000Z",
"spacegroup": 1
},
{
"id": "mp-1177110",
"created_at": "2022-09-04T14:45:59.078588Z",
"structure_string": "Li12 Mn2 V6 P12 O48\n1.0\n8.514286 0.000000 0.000000\n-0.019430 8.798210 0.000000\n-0.542817 -0.091208 12.408878\nLi Mn V P O\n12 2 6 12 48\ndirect\n0.999946 0.001275 0.998680 Li\n0.000935 0.900702 0.749227 Li\n0.000184 0.006095 0.503773 Li\n0.001424 0.104740 0.250987 Li\n0.288039 0.192729 0.950073 Li\n0.301734 0.815214 0.455822 Li\n0.510361 0.495085 0.998036 Li\n0.499455 0.597578 0.749870 Li\n0.502623 0.498987 0.500603 Li\n0.506095 0.397385 0.248827 Li\n0.709430 0.190552 0.550672 Li\n0.714203 0.806980 0.051361 Li\n0.285520 0.001483 0.644152 Mn\n0.788917 0.502462 0.147008 Mn\n0.211848 0.499397 0.856805 V\n0.214605 0.500634 0.356420 V\n0.284964 0.995793 0.142495 V\n0.716130 0.001171 0.857019 V\n0.718872 0.998357 0.358502 V\n0.786477 0.500860 0.644190 V\n0.996406 0.203243 0.750299 P\n0.001943 0.798870 0.249574 P\n0.159835 0.646069 0.605963 P\n0.150984 0.356449 0.105839 P\n0.348194 0.853219 0.896831 P\n0.351129 0.146803 0.398588 P\n0.496685 0.290527 0.748715 P\n0.503740 0.704906 0.250644 P\n0.651475 0.851489 0.599568 P\n0.649271 0.145758 0.103306 P\n0.841883 0.644363 0.893602 P\n0.843052 0.355849 0.396108 P\n0.008361 0.582171 0.894149 O\n0.009210 0.417117 0.392308 O\n0.055862 0.093244 0.662490 O\n0.070987 0.908807 0.164595 O\n0.127426 0.295679 0.809675 O\n0.126934 0.702197 0.308635 O\n0.148469 0.826330 0.595203 O\n0.140227 0.178767 0.092192 O\n0.253477 0.596335 0.708288 O\n0.252289 0.938905 0.982817 O\n0.255683 0.596864 0.507615 O\n0.245481 0.404625 0.209000 O\n0.252420 0.058433 0.480471 O\n0.268118 0.904885 0.789364 O\n0.246707 0.409753 0.009023 O\n0.277986 0.097298 0.287428 O\n0.343509 0.677672 0.911096 O\n0.344135 0.322257 0.413697 O\n0.375107 0.192970 0.683857 O\n0.383013 0.799742 0.186954 O\n0.425928 0.396095 0.836502 O\n0.433767 0.594409 0.333805 O\n0.475875 0.888456 0.583855 O\n0.473385 0.101760 0.091612 O\n0.524652 0.892749 0.906153 O\n0.528311 0.108811 0.410620 O\n0.565893 0.399172 0.663598 O\n0.579108 0.599763 0.162643 O\n0.615013 0.191270 0.809992 O\n0.621183 0.804502 0.314018 O\n0.658755 0.675902 0.584986 O\n0.648050 0.321140 0.089853 O\n0.723762 0.902533 0.710621 O\n0.740505 0.593120 0.987379 O\n0.726208 0.096751 0.212824 O\n0.752454 0.938702 0.517503 O\n0.749088 0.598749 0.788303 O\n0.748820 0.407877 0.495105 O\n0.746395 0.059063 0.018689 O\n0.742744 0.399285 0.295398 O\n0.859488 0.821774 0.907324 O\n0.859053 0.178818 0.411041 O\n0.868395 0.301277 0.694605 O\n0.872759 0.709447 0.186046 O\n0.930755 0.095746 0.838364 O\n0.935745 0.909573 0.335692 O\n0.991037 0.591256 0.604772 O\n0.981113 0.412922 0.106280 O\n",
"nsites": 80,
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"elements": [
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"Mn",
"V",
"P",
"O"
],
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"density": 2.926937365239183,
"density_atomic": 0.08606268957188457,
"volume": 929.5549604358965,
"volume_molar": 6.9973885198765,
"formula_full": "Li12 Mn2 V6 P12 O48",
"formula_reduced": "Li6MnV3(PO4)6",
"formula_anonymous": "AB3C6D6E24",
"energy": -609.97640989,
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"updated_at": "2021-11-28T01:37:10.258000Z",
"spacegroup": 1
},
{
"id": "mp-1234119",
"created_at": "2022-09-04T14:45:59.110089Z",
"structure_string": "Mg1 Al4 H12 O12\n1.0\n-4.128737 3.734876 5.637335\n4.742964 -1.133700 5.518201\n4.116752 1.283979 -6.173609\nMg Al H O\n1 4 12 12\ndirect\n0.568186 0.431778 0.527678 Mg\n0.475555 0.850428 0.292046 Al\n0.518240 0.133081 0.698812 Al\n-0.008783 0.679288 0.631892 Al\n0.006531 0.309610 0.356193 Al\n0.911384 0.994537 0.523556 H\n0.037632 0.956509 0.284210 H\n0.503857 0.489017 0.829064 H\n0.475693 0.513943 0.136205 H\n-0.038137 0.612656 0.244236 H\n0.019312 0.375399 0.731189 H\n0.215391 0.117815 0.171667 H\n0.751227 0.855266 0.785550 H\n0.441892 0.877475 0.932442 H\n0.503244 0.211264 0.033019 H\n0.938219 0.332635 0.971548 H\n0.040745 0.635365 0.985647 H\n0.848804 0.908551 0.545741 O\n0.146486 0.075631 0.452990 O\n0.402401 0.388509 0.639169 O\n0.590195 0.588631 0.344757 O\n0.919349 0.560935 0.314700 O\n0.085881 0.424074 0.679211 O\n0.418926 0.116277 0.346778 O\n0.558840 0.878868 0.619224 O\n0.363027 0.797082 0.943029 O\n0.636365 0.173683 0.049627 O\n0.902171 0.228271 0.011136 O\n0.091051 0.751870 0.977292 O\n",
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"volume": 255.20409770844742,
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"formula_full": "Mg1 Al4 H12 O12",
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"energy": -171.51289507,
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"updated_at": "2021-11-28T01:37:13.354000Z",
"spacegroup": 1
},
{
"id": "mp-1225117",
"created_at": "2022-09-04T14:45:59.114126Z",
"structure_string": "La9 Ce3 Si8 S32 I4\n1.0\n9.086244 0.000000 0.000000\n4.257574 12.715140 0.000000\n2.170378 5.409682 12.300736\nLa Ce Si S I\n9 3 8 32 4\ndirect\n0.604598 0.998713 0.320541 La\n0.731195 0.871659 0.947398 La\n0.230957 0.371935 0.447668 La\n0.895425 0.500599 0.179796 La\n0.395544 0.000564 0.679856 La\n0.671550 0.328741 0.920865 La\n0.171818 0.828407 0.421477 La\n0.328379 0.671554 0.078576 La\n0.828396 0.171462 0.578647 La\n0.270895 0.128694 0.052554 Ce\n0.771451 0.628196 0.553381 Ce\n0.103398 0.497114 0.821655 Ce\n0.707164 0.614461 0.915183 Si\n0.206717 0.114655 0.415225 Si\n0.004714 0.673479 0.296260 Si\n0.504215 0.173806 0.796263 Si\n0.293338 0.385324 0.083803 Si\n0.793903 0.884758 0.584369 Si\n0.994682 0.326888 0.704312 Si\n0.494563 0.826834 0.204210 Si\n0.758677 0.545351 0.794648 S\n0.256992 0.045765 0.294581 S\n0.392708 0.303522 0.856054 S\n0.893652 0.802744 0.356634 S\n0.242695 0.454533 0.204306 S\n0.742654 0.954606 0.704505 S\n0.605430 0.696648 0.144663 S\n0.105360 0.196717 0.644713 S\n0.913236 0.648602 0.935942 S\n0.412228 0.149324 0.436489 S\n0.904358 0.533092 0.382359 S\n0.404295 0.033141 0.882122 S\n0.088535 0.349490 0.062985 S\n0.588956 0.849025 0.563705 S\n0.094072 0.467997 0.619275 S\n0.593927 0.967965 0.118086 S\n0.657785 0.481911 0.061869 S\n0.158208 0.981873 0.561998 S\n0.242635 0.617772 0.337603 S\n0.742128 0.117967 0.837847 S\n0.340549 0.518301 0.936755 S\n0.842002 0.017989 0.437746 S\n0.757342 0.384340 0.661417 S\n0.257138 0.884222 0.161315 S\n0.521409 0.767894 0.879072 S\n0.021151 0.268098 0.379084 S\n0.984938 0.726579 0.126537 S\n0.484947 0.226717 0.626480 S\n0.478659 0.231743 0.120412 S\n0.979096 0.731187 0.621127 S\n0.015175 0.273549 0.873984 S\n0.515226 0.773203 0.373880 S\n0.618703 0.381525 0.368185 I\n0.118667 0.881558 0.868198 I\n0.381673 0.618475 0.631833 I\n0.881889 0.118733 0.131549 I\n",
"nsites": 56,
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"elements": [
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"Ce",
"Si",
"S",
"I"
],
"chemical_system": "Ce-I-La-S-Si",
"density": 4.00649524870003,
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"volume": 1421.1392659584653,
"volume_molar": 15.28267981993742,
"formula_full": "La9 Ce3 Si8 S32 I4",
"formula_reduced": "La9Ce3Si8(S8I)4",
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"energy": -347.1527826,
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"updated_at": "2021-11-28T01:37:20.852000Z",
"spacegroup": 1
},
{
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{
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{
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{
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{
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{
"id": "mp-1217885",
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"structure_string": "U12 Cd4 H6 C4 O51\n1.0\n7.056008 0.106340 -0.836727\n-0.403380 10.971532 -3.518923\n0.333650 -0.084824 15.276545\nU Cd H C O\n12 4 6 4 51\ndirect\n0.652554 0.925937 0.308820 U\n0.347861 0.073905 0.691298 U\n0.162916 0.736478 0.296976 U\n0.837527 0.263502 0.703390 U\n0.162620 0.097427 0.290383 U\n0.837234 0.902282 0.709718 U\n0.659831 0.229168 0.271069 U\n0.339364 0.771129 0.729150 U\n0.145447 0.409699 0.270924 U\n0.855114 0.590331 0.729875 U\n0.654596 0.592933 0.272991 U\n0.345950 0.407052 0.726925 U\n0.401463 0.712255 0.072573 Cd\n0.598470 0.287747 0.927701 Cd\n0.998367 0.355227 0.499027 Cd\n0.001103 0.644789 0.501303 Cd\n0.262156 0.122656 0.931901 H\n0.737749 0.877521 0.068263 H\n0.131682 0.109398 0.023250 H\n0.868141 0.890627 0.976810 H\n0.034202 0.186641 0.945134 H\n0.965691 0.813466 0.054984 H\n0.243782 0.288489 0.045975 C\n0.755972 0.711523 0.954269 C\n0.165598 0.168545 0.982806 C\n0.834222 0.831525 0.017312 C\n0.148729 0.749235 0.420761 O\n0.851521 0.250813 0.579646 O\n0.716922 0.311587 0.398253 O\n0.278609 0.690607 0.603657 O\n0.573235 0.869433 0.182230 O\n0.427123 0.130562 0.817758 O\n0.149466 0.344415 0.115359 O\n0.850529 0.655598 0.884878 O\n0.846694 0.773728 0.290256 O\n0.153501 0.225923 0.709676 O\n0.486618 0.765723 0.315835 O\n0.513527 0.234564 0.684330 O\n0.724125 0.610855 0.397678 O\n0.277316 0.388725 0.601711 O\n0.175969 0.710794 0.170520 O\n0.824415 0.288798 0.829843 O\n0.596329 0.588485 0.148417 O\n0.403423 0.411099 0.851541 O\n0.209927 0.547592 0.975951 O\n0.789960 0.452409 0.024245 O\n0.977592 0.550602 0.256798 O\n0.023022 0.448737 0.743272 O\n0.715306 0.979741 0.433295 O\n0.285421 0.020335 0.566718 O\n0.660667 0.401802 0.241326 O\n0.338634 0.597200 0.758544 O\n0.175981 0.015704 0.164575 O\n0.823003 0.983923 0.835365 O\n0.392755 0.337875 0.034877 O\n0.607188 0.662134 0.965352 O\n0.192072 0.931495 0.319829 O\n0.806668 0.068458 0.680352 O\n0.255367 0.885431 0.040696 O\n0.744529 0.114547 0.959719 O\n0.335762 0.550511 0.284649 O\n0.664968 0.449442 0.716261 O\n0.097189 0.462941 0.406065 O\n0.902452 0.537335 0.594606 O\n0.609532 0.146407 0.148338 O\n0.392290 0.853031 0.851819 O\n0.977547 0.254679 0.255499 O\n0.021801 0.746388 0.745695 O\n0.845218 0.058702 0.285158 O\n0.154323 0.942180 0.715359 O\n0.482727 0.087970 0.309959 O\n0.516825 0.911838 0.690064 O\n0.151666 0.190271 0.414133 O\n0.848733 0.810128 0.586042 O\n0.335529 0.279663 0.277651 O\n0.664244 0.718737 0.720875 O\n0.502438 0.462496 0.488434 O\n",
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"elements": [
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"formula_full": "U12 Cd4 H6 C4 O51",
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},
{
"id": "mp-1075744",
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"structure_string": "Mg10 Si18\n1.0\n6.859344 0.000000 0.000000\n-3.242968 7.036630 0.000000\n-0.513913 -3.510522 10.303944\nMg Si\n10 18\ndirect\n0.127545 0.524516 0.284763 Mg\n0.933081 0.179422 0.598896 Mg\n0.453977 0.970974 0.444774 Mg\n0.421675 0.350768 0.636620 Mg\n0.378117 0.317289 0.358568 Mg\n0.691410 0.724086 0.568625 Mg\n0.871476 0.226605 0.968570 Mg\n0.853019 0.622404 0.123713 Mg\n0.367162 0.028613 0.946476 Mg\n0.632176 0.849685 0.069655 Mg\n0.563931 0.807540 0.804740 Si\n0.401705 0.434855 0.115460 Si\n0.162935 0.892608 0.644258 Si\n0.882865 0.083216 0.315328 Si\n0.566416 0.061657 0.714554 Si\n0.327366 0.952816 0.189167 Si\n0.205958 0.552322 0.807691 Si\n0.682100 0.240110 0.201825 Si\n0.189503 0.218429 0.818987 Si\n0.009919 0.868142 0.415307 Si\n0.079774 0.076558 0.125961 Si\n0.917501 0.851795 0.898055 Si\n0.869356 0.552157 0.726609 Si\n0.615272 0.720259 0.313287 Si\n0.213298 0.610155 0.041562 Si\n0.602694 0.381067 0.872773 Si\n0.793144 0.354762 0.452079 Si\n0.186724 0.547569 0.541987 Si\n",
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}