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"structure_string": "Ba2 Na2 B18 O30\n1.0\n6.671540 -5.568724 0.012251\n6.671540 5.568724 0.012251\n2.007831 -0.000000 8.455111\nBa Na B O\n2 2 18 30\ndirect\n0.501974 0.501974 0.501974 Ba\n0.001974 0.001974 0.001974 Ba\n0.719523 0.719523 0.719523 Na\n0.219523 0.219523 0.219523 Na\n0.442573 0.932283 0.789218 B\n0.716185 0.839642 0.283346 B\n0.283346 0.716184 0.839642 B\n0.216185 0.783346 0.339642 B\n0.783346 0.339642 0.216184 B\n0.339642 0.216185 0.783346 B\n0.127404 0.276601 0.615185 B\n0.839642 0.283347 0.716184 B\n0.276601 0.615185 0.127404 B\n0.115186 0.776600 0.627404 B\n0.776601 0.627404 0.115185 B\n0.627404 0.115186 0.776601 B\n0.942573 0.289219 0.432283 B\n0.432283 0.942573 0.289218 B\n0.289219 0.432283 0.942573 B\n0.932283 0.789219 0.442573 B\n0.789219 0.442573 0.932283 B\n0.615185 0.127404 0.276601 B\n0.793340 0.774143 0.137600 O\n0.774142 0.137600 0.793340 O\n0.508157 0.237800 0.749969 O\n0.749969 0.508157 0.237800 O\n0.237800 0.749969 0.508157 O\n0.249969 0.737800 0.008157 O\n0.284155 0.928418 0.266968 O\n0.008157 0.249969 0.737800 O\n0.266968 0.284155 0.928418 O\n0.928418 0.266969 0.284155 O\n0.428418 0.784155 0.766968 O\n0.137600 0.793339 0.774142 O\n0.737800 0.008158 0.249969 O\n0.293340 0.637600 0.274142 O\n0.284977 0.461076 0.097130 O\n0.274143 0.293340 0.637600 O\n0.817327 0.314447 0.548759 O\n0.548760 0.817327 0.314447 O\n0.314447 0.548760 0.817327 O\n0.048760 0.814447 0.317327 O\n0.814447 0.317327 0.048760 O\n0.317327 0.048760 0.814447 O\n0.097130 0.284977 0.461076 O\n0.461076 0.097130 0.284977 O\n0.784155 0.766968 0.428418 O\n0.961076 0.784977 0.597130 O\n0.784977 0.597130 0.961076 O\n0.597130 0.961076 0.784977 O\n0.637600 0.274143 0.293340 O\n0.766968 0.428418 0.784155 O\n",
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"structure_string": "K3 Cr1 O4\n1.0\n5.201286 0.580670 -2.421789\n-3.256953 4.676982 -0.879613\n0.404367 -0.580670 5.723192\nK Cr O\n3 1 4\ndirect\n0.500001 0.750000 0.250000 K\n0.500001 0.250000 0.750000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Cr\n0.690230 0.984184 0.984185 O\n0.000000 0.015815 0.706044 O\n0.000000 0.706044 0.015816 O\n0.309772 0.293956 0.293956 O\n",
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{
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"structure_string": "Rb4 P4 H16 O20\n1.0\n6.910096 0.000000 -1.793895\n0.000000 7.735656 0.000000\n0.089517 0.000000 9.440104\nRb P H O\n4 4 16 20\ndirect\n0.823325 0.221289 0.459504 Rb\n0.176676 0.721289 0.040496 Rb\n0.176676 0.778712 0.540496 Rb\n0.823325 0.278712 0.959504 Rb\n0.367445 0.209977 0.151148 P\n0.632555 0.709978 0.348852 P\n0.632556 0.790023 0.848852 P\n0.367446 0.290023 0.651148 P\n0.362395 0.175733 0.441294 H\n0.637606 0.675734 0.058706 H\n0.362395 0.324267 0.941294 H\n0.120745 0.409738 0.277110 H\n0.879256 0.909738 0.222890 H\n0.879256 0.590262 0.722890 H\n0.120745 0.090262 0.777110 H\n0.637606 0.824267 0.558706 H\n0.066813 0.016463 0.211559 H\n0.066813 0.483537 0.711559 H\n0.933188 0.983537 0.788441 H\n0.577715 0.509115 0.668353 H\n0.422287 0.009114 0.831647 H\n0.422286 0.490886 0.331647 H\n0.577714 0.990886 0.168353 H\n0.933188 0.516463 0.288442 H\n0.569834 0.378352 0.653319 O\n0.202242 0.086360 0.098049 O\n0.797759 0.586360 0.401951 O\n0.003350 0.034802 0.719006 O\n0.202242 0.413641 0.598049 O\n0.430168 0.878352 0.846681 O\n0.996651 0.534803 0.780994 O\n0.797759 0.913641 0.901951 O\n0.430167 0.621648 0.346681 O\n0.639464 0.868390 0.457410 O\n0.360537 0.131611 0.542590 O\n0.639464 0.631611 0.957410 O\n0.360537 0.368389 0.042590 O\n0.377391 0.208480 0.801299 O\n0.622610 0.708481 0.698701 O\n0.622610 0.791520 0.198702 O\n0.377391 0.291520 0.301299 O\n0.996651 0.965198 0.280994 O\n0.569833 0.121648 0.153320 O\n0.003350 0.465198 0.219007 O\n",
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"structure_string": "Ni1 C2 S2 N2\n1.0\n3.645291 0.000000 0.000000\n-1.822645 5.028556 -1.317319\n0.000000 0.191164 5.967394\nNi C S N\n1 2 2 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.241690 0.483380 0.785040 C\n0.758309 0.516621 0.214959 C\n0.610446 0.220894 0.269095 S\n0.389552 0.779106 0.730904 S\n0.138208 0.276417 0.833878 N\n0.861790 0.723583 0.166121 N\n",
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{
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"structure_string": "Ni1 C2 S2 N2\n1.0\n3.645291 0.000000 0.000000\n-1.822645 5.028556 -1.317319\n0.000000 0.191164 5.967394\nNi C S N\n1 2 2 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.241690 0.483380 0.785040 C\n0.758309 0.516621 0.214959 C\n0.610446 0.220894 0.269095 S\n0.389552 0.779106 0.730904 S\n0.138208 0.276417 0.833878 N\n0.861790 0.723583 0.166121 N\n",
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{
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"created_at": "2022-09-04T14:38:39.600754Z",
"updated_at": "2022-09-04T14:38:39.600780Z",
"structure_string": "Li3 Mn1 P2\n1.0\n3.941543 0.000000 0.000000\n0.000000 3.941543 0.000000\n0.000000 0.000000 5.591514\nLi Mn P\n3 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.287233 P\n0.500000 0.000000 0.712766 P\n",
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"structure_string": "Li12 V2 O6 F6\n1.0\n5.158023 -0.031206 0.047164\n-1.837336 -6.225697 -0.010762\n-0.272015 0.049941 -7.750969\nLi V O F\n12 2 6 6\ndirect\n0.885588 0.082336 0.342179 Li\n0.760742 0.663339 0.219762 Li\n0.710488 0.172462 0.757913 Li\n0.076471 0.451825 0.142277 Li\n0.397047 0.802029 0.908887 Li\n0.444314 0.322071 0.410466 Li\n0.554537 0.677684 0.600360 Li\n0.612652 0.196898 0.099919 Li\n0.933210 0.546899 0.853283 Li\n0.280334 0.350679 0.763514 Li\n0.326470 0.833199 0.231801 Li\n0.093119 0.912451 0.655109 Li\n0.980039 0.994024 0.011068 V\n0.962489 0.493330 0.511666 V\n0.783218 0.367567 0.294836 O\n0.968863 0.277347 0.941591 O\n0.649768 0.415088 0.643335 O\n0.663721 0.918493 0.136252 O\n0.069377 0.726505 0.051638 O\n0.215437 0.649737 0.691938 O\n0.882352 0.788180 0.449428 F\n0.232445 0.115277 0.233349 F\n0.352885 0.081912 0.858148 F\n0.330499 0.574959 0.351988 F\n0.762350 0.881042 0.778599 F\n0.071559 0.204687 0.560705 F\n",
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"structure_string": "Mg2 Be1 Br1\n1.0\n-1.965548 1.965548 5.612853\n1.965548 -1.965548 5.612853\n1.965548 1.965548 -5.612853\nMg Be Br\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.750000 0.500000 Mg\n0.500000 0.500000 0.000000 Be\n0.750000 0.250000 0.500000 Br\n",
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"structure_string": "K12 N4 O16\n1.0\n5.681209 -0.000000 0.000000\n-0.000000 7.949375 0.000000\n0.000000 0.000000 10.909675\nK N O\n12 4 16\ndirect\n0.628239 0.750000 0.930563 K\n0.371761 0.250000 0.069437 K\n0.871762 0.750000 0.430563 K\n0.176382 0.992419 0.856244 K\n0.676382 0.007580 0.643757 K\n0.823619 0.492420 0.143757 K\n0.323618 0.507580 0.356243 K\n0.823619 0.007580 0.143757 K\n0.323618 0.992419 0.356243 K\n0.176382 0.507580 0.856244 K\n0.676382 0.492420 0.643757 K\n0.128239 0.250000 0.569437 K\n0.284325 0.750000 0.616361 N\n0.215676 0.750000 0.116360 N\n0.715676 0.250000 0.383640 N\n0.784325 0.250000 0.883640 N\n0.855033 0.104841 0.391426 O\n0.355032 0.604841 0.108575 O\n0.855033 0.395159 0.391426 O\n0.644968 0.104841 0.891426 O\n0.144968 0.895158 0.608575 O\n0.644968 0.395159 0.891426 O\n0.092317 0.750000 0.227674 O\n0.907683 0.250000 0.772327 O\n0.051944 0.750000 0.019163 O\n0.551944 0.250000 0.480837 O\n0.948056 0.250000 0.980838 O\n0.448056 0.750000 0.519163 O\n0.407683 0.750000 0.727674 O\n0.355032 0.895158 0.108575 O\n0.592317 0.250000 0.272326 O\n0.144968 0.604841 0.608575 O\n",
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{
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"structure_string": "Na6 O3\n1.0\n-3.606137 0.000231 0.000711\n-0.000359 -6.127833 -0.000969\n0.001218 3.063027 5.307236\nNa O\n6 3\ndirect\n0.932708 0.747213 0.081957 Na\n0.432722 0.593238 0.667857 Na\n0.432754 0.333112 0.927967 Na\n0.932711 0.333116 0.253756 Na\n0.432751 0.072994 0.407725 Na\n0.932733 0.919019 0.667858 Na\n0.433137 0.666453 0.334512 O\n0.932774 0.333114 0.667839 O\n0.432555 -0.000214 0.001177 O\n",
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{
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{
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"structure_string": "P2 Cl2\n1.0\n2.974618 0.000000 0.000000\n-0.000000 2.974618 -0.000000\n0.000000 0.000000 9.468983\nP Cl\n2 2\ndirect\n0.000000 0.000000 0.444306 P\n0.500000 0.500000 0.555691 P\n0.000000 0.000000 0.837513 Cl\n0.500000 0.500000 0.162489 Cl\n",
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}