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{
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{
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{
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{
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"structure_string": "Pr6 Mg6 Se18\n1.0\n7.100363 0.000000 0.000000\n-3.550182 6.149095 0.000000\n0.000000 0.000000 19.636250\nPr Mg Se\n6 6 18\ndirect\n0.000000 0.000000 0.351520 Pr\n0.000000 0.000000 0.648480 Pr\n0.666667 0.333333 0.684853 Pr\n0.666667 0.333333 0.981813 Pr\n0.333333 0.666667 0.018187 Pr\n0.333333 0.666667 0.315147 Pr\n0.000000 0.000000 0.160639 Mg\n0.000000 0.000000 0.839361 Mg\n0.666667 0.333333 0.493972 Mg\n0.666667 0.333333 0.172694 Mg\n0.333333 0.666667 0.827306 Mg\n0.333333 0.666667 0.506028 Mg\n0.991070 0.366676 0.580820 Se\n0.008930 0.633324 0.419180 Se\n0.633324 0.624394 0.580820 Se\n0.366676 0.375605 0.419180 Se\n0.375605 0.008930 0.580820 Se\n0.624394 0.991070 0.419180 Se\n0.657737 0.700009 0.914153 Se\n0.675597 0.966657 0.752513 Se\n0.299991 0.957727 0.914153 Se\n0.033343 0.708939 0.752513 Se\n0.042272 0.342263 0.914153 Se\n0.291061 0.324403 0.752513 Se\n0.324403 0.033343 0.247487 Se\n0.342263 0.299991 0.085847 Se\n0.966657 0.291061 0.247487 Se\n0.700009 0.042272 0.085847 Se\n0.708939 0.675597 0.247487 Se\n0.957727 0.657737 0.085847 Se\n",
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{
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"created_at": "2022-09-04T14:42:46.141580Z",
"structure_string": "Pr2 Ir6\n1.0\n3.022639 -5.235365 0.000000\n3.022639 5.235365 0.000000\n0.000000 0.000000 4.670051\nPr Ir\n2 6\ndirect\n0.333333 0.666667 0.750000 Pr\n0.666667 0.333333 0.250000 Pr\n0.149072 0.298144 0.250000 Ir\n0.701856 0.850928 0.250000 Ir\n0.149072 0.850928 0.250000 Ir\n0.850928 0.701856 0.750000 Ir\n0.298144 0.149072 0.750000 Ir\n0.850928 0.149072 0.750000 Ir\n",
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{
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"structure_string": "Cu4 H10 C6 N6 O10\n1.0\n-0.107044 0.000000 -6.448029\n-5.006306 -6.033785 1.203892\n-5.006306 6.033785 1.203892\nCu H C N O\n4 10 6 6 10\ndirect\n0.685873 0.459551 0.786818 Cu\n0.314127 0.540449 0.213182 Cu\n0.814127 0.213182 0.540449 Cu\n0.185873 0.786818 0.459551 Cu\n0.967834 0.592122 0.665354 H\n0.032166 0.407878 0.334646 H\n0.532166 0.334646 0.407878 H\n0.467834 0.665354 0.592122 H\n0.750000 0.990656 0.009344 H\n0.250000 0.009344 0.990656 H\n0.917410 0.748457 0.791761 H\n0.082590 0.251543 0.208239 H\n0.582590 0.208239 0.251543 H\n0.417410 0.791761 0.748457 H\n0.567383 0.788485 0.082214 C\n0.432617 0.211515 0.917786 C\n0.932617 0.917786 0.211515 C\n0.067383 0.082214 0.788485 C\n0.750000 0.683101 0.316899 C\n0.250000 0.316899 0.683101 C\n0.750000 0.906179 0.093821 N\n0.250000 0.093821 0.906179 N\n0.566170 0.684429 0.203372 N\n0.433830 0.315571 0.796628 N\n0.933830 0.796628 0.315571 N\n0.066170 0.203372 0.684429 N\n0.750000 0.579027 0.420973 O\n0.250000 0.420973 0.579027 O\n0.929249 0.622318 0.780717 O\n0.070751 0.377682 0.219283 O\n0.570751 0.219283 0.377682 O\n0.429249 0.780717 0.622318 O\n0.411591 0.781403 0.965429 O\n0.588409 0.218597 0.034571 O\n0.088409 0.034571 0.218597 O\n0.911591 0.965429 0.781403 O\n",
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{
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"structure_string": "Na4 Cu4 O8\n1.0\n-5.520134 0.000000 0.000000\n1.401088 5.383643 0.000000\n-0.239684 -1.108548 -7.064760\nNa Cu O\n4 4 8\ndirect\n0.000000 0.500000 0.500000 Na\n0.227219 0.396832 0.066111 Na\n0.500000 0.500000 0.500000 Na\n0.772781 0.603168 0.933889 Na\n0.384073 0.950536 0.275586 Cu\n0.882348 0.949458 0.282614 Cu\n0.117652 0.050542 0.717386 Cu\n0.615927 0.049464 0.724414 Cu\n0.076383 0.721406 0.220760 O\n0.311018 0.822275 0.668874 O\n0.576955 0.718667 0.223736 O\n0.810885 0.818089 0.676088 O\n0.189115 0.181911 0.323912 O\n0.423045 0.281333 0.776264 O\n0.688982 0.177725 0.331126 O\n0.923617 0.278594 0.779240 O\n",
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{
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{
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{
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"formula_full": "Na1 Mg14 Si1 O16",
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{
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{
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}