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{
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{
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{
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"structure_string": "La6 Zr8 F47\n1.0\n6.405263 8.960575 0.000000\n-6.405263 8.960575 0.000000\n0.000000 8.862967 9.079323\nLa Zr F\n6 8 47\ndirect\n0.244712 0.248869 0.380050 La\n0.376913 0.878856 0.123475 La\n0.751131 0.755288 0.619950 La\n0.621806 0.378194 0.500000 La\n0.121144 0.623087 0.876525 La\n0.877271 0.122729 0.000000 La\n0.842058 0.000049 0.751409 Zr\n0.508475 0.353017 0.909742 Zr\n0.344201 0.997660 0.751686 Zr\n0.002340 0.655799 0.248314 Zr\n0.999951 0.157942 0.248591 Zr\n0.154138 0.501826 0.593349 Zr\n0.498174 0.845862 0.406651 Zr\n0.646983 0.491525 0.090258 Zr\n0.352723 0.022035 0.380579 F\n0.014247 0.149768 0.598382 F\n0.173144 0.404952 0.486381 F\n0.470883 0.339150 0.273700 F\n0.257486 0.684618 0.391466 F\n0.687233 0.227039 0.931978 F\n0.152348 0.482926 0.251008 F\n0.497368 0.857354 0.239117 F\n0.548720 0.451280 0.000000 F\n0.488940 0.659398 0.107715 F\n0.183436 0.763045 0.165463 F\n0.155234 0.990484 0.245347 F\n0.660850 0.529117 0.726300 F\n0.100249 0.181202 0.331622 F\n0.635925 0.925195 0.927931 F\n0.977965 0.647277 0.619421 F\n0.418779 0.144814 0.024618 F\n0.818798 0.899751 0.668378 F\n0.360441 0.997481 0.906261 F\n0.517074 0.847652 0.748992 F\n0.906678 0.684237 0.426884 F\n0.236955 0.816564 0.834537 F\n0.740194 0.180000 0.647797 F\n0.074805 0.364075 0.072070 F\n0.595048 0.826856 0.513619 F\n0.140115 0.080935 0.848037 F\n0.850232 0.985753 0.401618 F\n0.509083 0.362052 0.736490 F\n0.340602 0.511060 0.892285 F\n0.002519 0.639559 0.093739 F\n0.508212 0.155505 0.602040 F\n0.315763 0.093322 0.573116 F\n0.919065 0.859885 0.151963 F\n0.820000 0.259806 0.352203 F\n0.142646 0.502632 0.760883 F\n0.844495 0.491788 0.397960 F\n0.658421 0.007530 0.234927 F\n0.359851 0.419329 0.566848 F\n0.002537 0.135497 0.096860 F\n0.315382 0.742514 0.608534 F\n0.580671 0.640149 0.433152 F\n0.637948 0.490917 0.263510 F\n0.009516 0.844766 0.754653 F\n0.864503 0.997463 0.903140 F\n0.772961 0.312767 0.068022 F\n0.855186 0.581221 0.975382 F\n0.992470 0.341579 0.765073 F\n",
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{
"id": "mp-1246868",
"created_at": "2022-09-04T14:42:54.632450Z",
"structure_string": "Cr8 Se6 N4\n1.0\n6.500931 0.000000 0.000000\n0.000000 13.080889 0.000000\n0.000000 0.000000 3.364530\nCr Se N\n8 6 4\ndirect\n0.685397 0.936177 0.500000 Cr\n0.314603 0.063823 0.500000 Cr\n0.185397 0.563823 0.000000 Cr\n0.814603 0.436177 0.000000 Cr\n0.798439 0.642195 0.500000 Cr\n0.201561 0.357805 0.500000 Cr\n0.298439 0.857805 0.000000 Cr\n0.701561 0.142195 0.000000 Cr\n0.500000 0.500000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n0.843683 0.281554 0.500000 Se\n0.156317 0.718446 0.500000 Se\n0.343683 0.218446 0.000000 Se\n0.656317 0.781554 0.000000 Se\n0.616138 0.078561 0.500000 N\n0.383862 0.921439 0.500000 N\n0.116138 0.421439 0.000000 N\n0.883862 0.578561 0.000000 N\n",
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{
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"structure_string": "Cu6 S6\n1.0\n1.894460 -3.297547 0.000000\n1.894460 3.297547 0.000000\n0.000000 0.000000 16.421388\nCu S\n6 6\ndirect\n0.663541 0.336459 0.607199 Cu\n0.336459 0.663541 0.107199 Cu\n0.663541 0.336459 0.892801 Cu\n0.637976 0.362024 0.250000 Cu\n0.336459 0.663541 0.392801 Cu\n0.362024 0.637976 0.750000 Cu\n0.997650 0.002350 0.564167 S\n0.693857 0.306143 0.750000 S\n0.002350 0.997650 0.064167 S\n0.306143 0.693857 0.250000 S\n0.997650 0.002350 0.935833 S\n0.002350 0.997650 0.435833 S\n",
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{
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"structure_string": "Ca2 V4 O8\n1.0\n5.466766 0.000149 -2.870042\n-1.506875 5.254786 -2.870360\n-0.144257 -0.191804 6.366450\nCa V O\n2 4 8\ndirect\n0.375028 0.624890 0.749971 Ca\n0.624971 0.375109 0.250028 Ca\n0.000001 0.000003 0.500000 V\n0.999999 0.499997 0.999998 V\n0.500003 0.000006 0.500004 V\n0.000002 0.000002 0.000002 V\n0.770739 0.803372 0.541587 O\n0.761946 0.229184 0.958319 O\n0.196515 0.229129 0.958319 O\n0.229260 0.196627 0.458412 O\n0.229152 0.761970 0.458314 O\n0.238053 0.770814 0.041680 O\n0.770847 0.238028 0.541685 O\n0.803485 0.770869 0.041681 O\n",
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{
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"structure_string": "Cu8 Sn30 S64\n1.0\n6.444934 0.004081 3.727559\n2.152133 6.087152 3.727604\n-0.042975 -0.030001 59.715469\nCu Sn S\n8 30 64\ndirect\n0.232787 0.231499 0.038027 Cu\n0.270672 0.236752 0.156978 Cu\n0.264474 0.250881 0.279221 Cu\n0.251089 0.250534 0.405980 Cu\n0.250667 0.250060 0.531152 Cu\n0.250463 0.249847 0.656230 Cu\n0.249531 0.249033 0.781550 Cu\n0.248975 0.248649 0.906716 Cu\n0.121669 0.630987 0.077045 Sn\n0.630820 0.122480 0.077035 Sn\n0.630820 0.630418 0.077035 Sn\n0.627963 0.115080 0.203741 Sn\n0.616659 0.631491 0.140045 Sn\n0.627963 0.627031 0.203741 Sn\n0.120675 0.629242 0.327605 Sn\n0.655944 0.635254 0.259194 Sn\n0.628327 0.121455 0.327515 Sn\n0.628327 0.630098 0.327515 Sn\n0.115463 0.628311 0.453489 Sn\n0.628316 0.115426 0.453474 Sn\n0.629399 0.630518 0.388696 Sn\n0.114988 0.628409 0.578524 Sn\n0.628316 0.628465 0.453474 Sn\n0.628428 0.628422 0.514341 Sn\n0.628255 0.114974 0.578531 Sn\n0.115008 0.628226 0.703568 Sn\n0.628255 0.628523 0.578531 Sn\n0.628366 0.628385 0.639358 Sn\n0.628128 0.114961 0.703569 Sn\n0.112024 0.628173 0.828954 Sn\n0.628128 0.628361 0.703569 Sn\n0.628047 0.628118 0.764465 Sn\n0.628112 0.112019 0.828946 Sn\n0.628112 0.628297 0.828946 Sn\n0.095975 0.626393 0.956405 Sn\n0.626155 0.096417 0.956350 Sn\n0.620428 0.620643 0.892286 Sn\n0.626155 0.626630 0.956350 Sn\n0.380332 0.380310 0.047060 S\n0.380332 0.862882 0.047060 S\n0.378169 0.378692 0.108056 S\n0.863399 0.380061 0.047060 S\n0.383875 0.874729 0.108333 S\n0.380103 0.376261 0.172686 S\n0.875108 0.876070 0.046594 S\n0.380103 0.862145 0.172686 S\n0.869942 0.390825 0.108666 S\n0.379386 0.379414 0.232723 S\n0.869681 0.377386 0.171943 S\n0.869942 0.869906 0.108666 S\n0.371566 0.872455 0.235441 S\n0.377650 0.379731 0.297466 S\n0.853871 0.878400 0.173666 S\n0.859867 0.370720 0.235120 S\n0.377650 0.862892 0.297466 S\n0.378210 0.376715 0.358545 S\n0.868782 0.376131 0.297370 S\n0.859867 0.888456 0.235120 S\n0.381347 0.872853 0.359118 S\n0.377443 0.377876 0.422100 S\n0.873029 0.873826 0.297415 S\n0.871636 0.382825 0.359126 S\n0.377097 0.376861 0.483648 S\n0.377443 0.867881 0.422100 S\n0.867850 0.377816 0.422065 S\n0.871636 0.872530 0.359126 S\n0.377048 0.874400 0.484269 S\n0.376933 0.377119 0.547048 S\n0.874374 0.377583 0.484261 S\n0.874066 0.873941 0.422257 S\n0.376914 0.376729 0.608704 S\n0.376933 0.869565 0.547048 S\n0.869417 0.376975 0.547079 S\n0.874374 0.873954 0.484261 S\n0.376358 0.874519 0.609325 S\n0.376769 0.376941 0.672090 S\n0.376816 0.376575 0.733754 S\n0.874485 0.377008 0.609308 S\n0.874372 0.874308 0.547127 S\n0.376769 0.869572 0.672090 S\n0.869418 0.376816 0.672119 S\n0.874485 0.874042 0.609308 S\n0.376988 0.874259 0.734312 S\n0.378240 0.378396 0.797042 S\n0.874371 0.874329 0.672121 S\n0.378068 0.377936 0.858257 S\n0.378240 0.867025 0.797042 S\n0.874199 0.377593 0.734298 S\n0.866921 0.378268 0.797068 S\n0.874199 0.873824 0.734298 S\n0.381950 0.874136 0.858722 S\n0.379521 0.379659 0.922208 S\n0.874112 0.382552 0.858704 S\n0.874473 0.874352 0.797103 S\n0.378065 0.378140 0.983207 S\n0.379521 0.863158 0.922208 S\n0.863093 0.379574 0.922220 S\n0.874112 0.873706 0.858704 S\n0.367950 0.887614 0.982103 S\n0.872548 0.872291 0.922859 S\n0.887350 0.368597 0.982077 S\n0.887350 0.887439 0.982077 S\n",
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{
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"structure_string": "Be1 Cr1 Ru2\n1.0\n0.000000 2.888095 2.888095\n2.888095 0.000000 2.888095\n2.888095 2.888095 0.000000\nBe Cr Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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{
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{
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{
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}