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"id": "jvasp-64530",
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"structure_string": "Ba4 In1 Pb1\n1.0\n-0.000000 5.047763 5.047763\n5.047763 -0.000000 5.047763\n5.047763 5.047763 0.000000\nBa In Pb\n4 1 1\ndirect\n0.123656 0.625448 0.625448 Ba\n0.625448 0.625448 0.625448 Ba\n0.625448 0.123656 0.625448 Ba\n0.625448 0.625448 0.123656 Ba\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 Pb\n",
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"structure_string": "Rb2 Zr1 Cl6\n1.0\n6.181936 -0.000000 3.569142\n2.060646 5.828385 3.569142\n0.000000 0.000000 7.138285\nRb Zr Cl\n2 1 6\ndirect\n0.750001 0.750001 0.749998 Rb\n0.250000 0.250000 0.249999 Rb\n0.000000 0.000000 0.000000 Zr\n0.245500 0.754501 0.754499 Cl\n0.245500 0.754501 0.245499 Cl\n0.754501 0.245500 0.754499 Cl\n0.754501 0.245500 0.245499 Cl\n0.754501 0.754501 0.245498 Cl\n0.245500 0.245500 0.754499 Cl\n",
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{
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"structure_string": "Pb2 I4\n1.0\n4.540484 0.008731 13.636269\n2.217816 3.961989 13.636269\n0.014861 0.008731 14.372321\nPb I\n2 4\ndirect\n0.416981 0.416980 0.416981 Pb\n0.583020 0.583019 0.583020 Pb\n0.871610 0.871609 0.871610 I\n0.128391 0.128391 0.128391 I\n0.705568 0.705568 0.705568 I\n0.294432 0.294432 0.294432 I\n",
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{
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"created_at": "2022-09-04T14:38:47.721282Z",
"updated_at": "2022-09-04T14:38:47.721315Z",
"structure_string": "Li2 Fe2 Si4 O12\n1.0\n4.974131 -0.060680 1.197386\n-0.297030 4.965625 1.197386\n-0.055723 -0.058437 10.391375\nLi Fe Si O\n2 2 4 12\ndirect\n0.859893 0.636888 0.334881 Li\n0.636888 0.859893 0.834881 Li\n0.771319 0.036654 0.506725 Fe\n0.036653 0.771320 0.006724 Fe\n-0.020410 0.357369 0.830824 Si\n0.563261 0.456499 0.662956 Si\n0.456498 0.563261 0.162956 Si\n0.357369 -0.020411 0.330824 Si\n0.133645 0.985454 0.467813 O\n0.350977 0.246193 0.209304 O\n0.246193 0.350977 0.709304 O\n0.698478 0.395158 0.515122 O\n0.714187 0.272460 0.776761 O\n0.603562 0.771969 0.665438 O\n0.771968 0.603562 0.165437 O\n0.395158 0.698479 0.015122 O\n0.656984 0.951938 0.360144 O\n0.951937 0.656984 0.860144 O\n0.985454 0.133645 0.967813 O\n0.272461 0.714188 0.276761 O\n",
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"updated_at": "2022-09-04T14:37:28.306426Z",
"structure_string": "Ce4 Zn4 Ge4\n1.0\n2.130988 -3.690980 -0.000000\n2.130988 3.690980 0.000000\n-0.000000 -0.000000 16.348572\nCe Zn Ge\n4 4 4\ndirect\n0.000000 0.000000 0.750000 Ce\n0.000000 0.000000 0.250000 Ce\n0.000000 0.000000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.666667 0.333333 0.860190 Zn\n0.666667 0.333333 0.639810 Zn\n0.333333 0.666667 0.139810 Zn\n0.333333 0.666667 0.360190 Zn\n0.666667 0.333333 0.116699 Ge\n0.666667 0.333333 0.383301 Ge\n0.333333 0.666667 0.883301 Ge\n0.333333 0.666667 0.616699 Ge\n",
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"created_at": "2022-09-04T14:36:16.611364Z",
"updated_at": "2022-09-04T14:36:16.611398Z",
"structure_string": "Ba4 Sr1 Mo1\n1.0\n-0.000000 5.047394 5.047394\n5.047394 0.000000 5.047394\n5.047394 5.047394 0.000000\nBa Sr Mo\n4 1 1\ndirect\n0.131797 0.622733 0.622733 Ba\n0.622733 0.622733 0.622733 Ba\n0.622733 0.131797 0.622733 Ba\n0.622733 0.622733 0.131797 Ba\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Mo\n",
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{
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"created_at": "2022-09-04T14:36:57.928108Z",
"updated_at": "2022-09-04T14:36:57.928134Z",
"structure_string": "Ba3 Na3 P3\n1.0\n3.978060 -6.890202 0.000000\n3.978060 6.890202 0.000000\n0.000000 0.000000 4.690300\nBa Na P\n3 3 3\ndirect\n0.412697 0.412697 0.500000 Ba\n0.000000 0.587303 0.500000 Ba\n0.587303 0.000000 0.500000 Ba\n0.000000 0.242318 0.000000 Na\n0.242318 0.000000 0.000000 Na\n0.757682 0.757682 0.000000 Na\n0.666667 0.333333 0.000000 P\n0.000000 0.000000 0.500000 P\n0.333333 0.666667 0.000000 P\n",
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{
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"created_at": "2022-09-04T14:35:41.084872Z",
"updated_at": "2022-09-04T14:35:41.084897Z",
"structure_string": "Ba4 Sc1 Sb1\n1.0\n-0.000000 5.046910 5.046910\n5.046910 -0.000000 5.046910\n5.046910 5.046910 -0.000000\nBa Sc Sb\n4 1 1\ndirect\n0.127740 0.624087 0.624087 Ba\n0.624087 0.624087 0.624087 Ba\n0.624087 0.127740 0.624087 Ba\n0.624087 0.624087 0.127740 Ba\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Sb\n",
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{
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"structure_string": "Ta3 Si12 Mo3\n1.0\n13.151320 -0.000000 0.000000\n-0.000000 4.111854 2.345614\n0.000000 -0.001960 4.753121\nTa Si Mo\n3 12 3\ndirect\n0.249262 -0.000000 0.500000 Ta\n0.583844 0.500000 0.500000 Ta\n0.083428 0.500000 0.500000 Ta\n0.081948 0.164316 0.156181 Si\n0.583457 0.161796 0.164730 Si\n0.251142 0.678917 0.158018 Si\n0.750972 0.676804 0.158882 Si\n0.416616 0.162159 0.679597 Si\n0.915832 0.157990 0.675145 Si\n0.081948 0.835683 0.843819 Si\n0.583457 0.838203 0.835270 Si\n0.251142 0.321082 0.841982 Si\n0.750972 0.323195 0.841118 Si\n0.416616 0.837840 0.320402 Si\n0.915832 0.842009 0.324855 Si\n0.916286 0.500000 -0.000000 Mo\n0.416416 0.500000 -0.000000 Mo\n0.750826 -0.000000 0.500000 Mo\n",
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{
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"structure_string": "Li2 V1 Cr1 P4 O14\n1.0\n4.826810 0.029495 0.003304\n2.275951 6.613794 -0.011402\n0.036712 0.019738 8.070269\nLi V Cr P O\n2 1 1 4 14\ndirect\n0.821224 0.671860 0.862486 Li\n0.172418 0.327538 0.362305 Li\n0.781636 0.730737 0.499855 V\n0.215899 0.272168 -0.000043 Cr\n0.595068 0.521183 0.177914 P\n0.799682 0.082946 0.787911 P\n0.206923 0.918219 0.280944 P\n0.403107 0.475429 0.679850 P\n0.186866 0.517103 0.535720 O\n0.247424 0.487555 0.847581 O\n0.387407 0.397179 0.180379 O\n0.610314 0.090281 0.942217 O\n0.607887 0.244760 0.651706 O\n0.402088 0.755856 0.147326 O\n0.810148 0.476511 0.031987 O\n0.600427 0.607395 0.680271 O\n0.748527 0.508837 0.344968 O\n0.125776 0.121552 0.191636 O\n0.872529 0.879331 0.699762 O\n0.940610 0.856303 0.321847 O\n0.390832 0.919904 0.434940 O\n0.073199 0.137354 0.824015 O\n",
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{
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"structure_string": "As4 S2 O12\n1.0\n4.735681 0.000000 0.000000\n0.000000 4.753086 0.000000\n0.000000 0.000000 11.421365\nAs S O\n4 2 12\ndirect\n0.783948 0.810868 0.307885 As\n0.216052 0.810868 0.692114 As\n0.283948 0.189133 0.192115 As\n0.716052 0.189133 0.807885 As\n0.000000 0.799522 0.000000 S\n0.500000 0.200479 0.500000 S\n0.234890 0.995912 0.040722 O\n0.765110 0.995912 0.959278 O\n0.734890 0.004089 0.459278 O\n0.265110 0.004089 0.540722 O\n0.570035 0.867831 0.743321 O\n0.392678 0.368034 0.403145 O\n0.607322 0.368034 0.596854 O\n0.070035 0.132170 0.756678 O\n0.107322 0.631967 0.903145 O\n0.892678 0.631967 0.096854 O\n0.429965 0.867831 0.256678 O\n0.929965 0.132170 0.243321 O\n",
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}