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{
"id": "mp-774520",
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{
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"structure_string": "K8 Ca8 P24 H32 O88\n1.0\n12.826004 0.000000 0.000000\n0.000000 7.913730 0.000000\n0.000000 0.246473 20.560215\nK Ca P H O\n8 8 24 32 88\ndirect\n0.730640 0.986883 0.336661 K\n0.230640 0.013117 0.163339 K\n0.269360 0.013117 0.663339 K\n0.769360 0.986883 0.836661 K\n0.550497 0.736963 0.165654 K\n0.050497 0.263037 0.334346 K\n0.449503 0.263037 0.834346 K\n0.949503 0.736963 0.665654 K\n0.754471 0.508602 0.375549 Ca\n0.254471 0.491398 0.124451 Ca\n0.245529 0.491398 0.624451 Ca\n0.745529 0.508602 0.875549 Ca\n0.303692 0.000280 0.413089 Ca\n0.803692 0.999720 0.086911 Ca\n0.696308 0.999720 0.586911 Ca\n0.196308 0.000280 0.913089 Ca\n0.828441 0.685494 0.216845 P\n0.328441 0.314506 0.283155 P\n0.171559 0.314506 0.783155 P\n0.671559 0.685494 0.716845 P\n0.992244 0.668699 0.117115 P\n0.492244 0.331301 0.382885 P\n0.007756 0.331301 0.882885 P\n0.507756 0.668699 0.617115 P\n0.504249 0.700820 0.361419 P\n0.004249 0.299180 0.138581 P\n0.495751 0.299180 0.638581 P\n0.995751 0.700820 0.861419 P\n0.814340 0.316058 0.218242 P\n0.314340 0.683942 0.281758 P\n0.185660 0.683942 0.781758 P\n0.685660 0.316058 0.718242 P\n0.613795 0.831941 0.979121 P\n0.113795 0.168059 0.520879 P\n0.386205 0.168059 0.020879 P\n0.886205 0.831941 0.479121 P\n0.611139 0.211067 0.983111 P\n0.111139 0.788933 0.516889 P\n0.388861 0.788933 0.016889 P\n0.888861 0.211067 0.483111 P\n0.631897 0.087532 0.201953 H\n0.131897 0.912468 0.298047 H\n0.368103 0.912468 0.798047 H\n0.868103 0.087532 0.701953 H\n0.035658 0.868865 0.256182 H\n0.535658 0.131135 0.243818 H\n0.964342 0.131135 0.743818 H\n0.464342 0.868865 0.756182 H\n0.801448 0.413502 0.005645 H\n0.301448 0.586498 0.494355 H\n0.198552 0.586498 0.994355 H\n0.698552 0.413502 0.505645 H\n0.162447 0.398599 0.984673 H\n0.662447 0.601401 0.515327 H\n0.837553 0.601401 0.015327 H\n0.337553 0.398599 0.484673 H\n0.073864 0.049731 0.036330 H\n0.573864 0.950269 0.463670 H\n0.926136 0.950269 0.963670 H\n0.426136 0.049731 0.536330 H\n0.630890 0.122473 0.449916 H\n0.130890 0.877527 0.050084 H\n0.369110 0.877527 0.550084 H\n0.869110 0.122473 0.949916 H\n0.609095 0.353758 0.136726 H\n0.109095 0.646242 0.363274 H\n0.390905 0.646242 0.863274 H\n0.890905 0.353758 0.636726 H\n0.989077 0.627818 0.362193 H\n0.489077 0.372182 0.137807 H\n0.010923 0.372182 0.637807 H\n0.510923 0.627818 0.862193 H\n0.767181 0.818760 0.181067 O\n0.267181 0.181240 0.318933 O\n0.232819 0.181240 0.818933 O\n0.732819 0.818760 0.681067 O\n0.832771 0.685395 0.289469 O\n0.332771 0.314605 0.210531 O\n0.167229 0.314605 0.710531 O\n0.667229 0.685395 0.789469 O\n0.949586 0.687896 0.191684 O\n0.449586 0.312104 0.308316 O\n0.050414 0.312104 0.808316 O\n0.550414 0.687896 0.691684 O\n0.424505 0.231154 0.428832 O\n0.924505 0.768846 0.071168 O\n0.575495 0.768846 0.571168 O\n0.075495 0.231154 0.928832 O\n0.607448 0.297268 0.380367 O\n0.107448 0.702732 0.119633 O\n0.392552 0.702732 0.619633 O\n0.892552 0.297268 0.880367 O\n0.467403 0.528364 0.398226 O\n0.967403 0.471636 0.101774 O\n0.532597 0.471636 0.601774 O\n0.032597 0.528364 0.898226 O\n0.464952 0.846319 0.400743 O\n0.964952 0.153681 0.099257 O\n0.535048 0.153681 0.599257 O\n0.035048 0.846319 0.900743 O\n0.616978 0.690623 0.343551 O\n0.116978 0.309377 0.156449 O\n0.383022 0.309377 0.656449 O\n0.883022 0.690623 0.843551 O\n0.940278 0.307585 0.207340 O\n0.440278 0.692415 0.292660 O\n0.059722 0.692415 0.792660 O\n0.559722 0.307585 0.707340 O\n0.760598 0.193217 0.174315 O\n0.260598 0.806783 0.325685 O\n0.239402 0.806783 0.825685 O\n0.739402 0.193217 0.674315 O\n0.298449 0.695453 0.209685 O\n0.798449 0.304547 0.290315 O\n0.701551 0.304547 0.790315 O\n0.201551 0.695453 0.709685 O\n0.285076 0.495859 0.309085 O\n0.785076 0.504141 0.190915 O\n0.714924 0.504141 0.690915 O\n0.214924 0.495859 0.809085 O\n0.656266 0.837574 0.047304 O\n0.156266 0.162426 0.452696 O\n0.343734 0.162426 0.952696 O\n0.843734 0.837574 0.547304 O\n0.331261 0.254540 0.074814 O\n0.831261 0.745460 0.425186 O\n0.668739 0.745460 0.925186 O\n0.168739 0.254540 0.574814 O\n0.503157 0.245962 0.021364 O\n0.003157 0.754038 0.478636 O\n0.496843 0.754038 0.978636 O\n0.996843 0.245962 0.521364 O\n0.697106 0.211024 0.032822 O\n0.197106 0.788976 0.467178 O\n0.302894 0.788976 0.967178 O\n0.802894 0.211024 0.532822 O\n0.381091 0.671752 0.074503 O\n0.881091 0.328248 0.425497 O\n0.618909 0.328248 0.925497 O\n0.118909 0.671752 0.574503 O\n0.407546 0.975037 0.047663 O\n0.907546 0.024963 0.452337 O\n0.592454 0.024963 0.952337 O\n0.092454 0.975037 0.547663 O\n0.078814 0.964455 0.269762 O\n0.578814 0.035545 0.230238 O\n0.921186 0.035545 0.730238 O\n0.421186 0.964455 0.769762 O\n0.182075 0.481141 0.017391 O\n0.682075 0.518859 0.482609 O\n0.817925 0.518859 0.982609 O\n0.317925 0.481141 0.517391 O\n0.639401 0.011395 0.471386 O\n0.139401 0.988605 0.028614 O\n0.360599 0.988605 0.528614 O\n0.860599 0.011395 0.971386 O\n0.051934 0.598873 0.338115 O\n0.551934 0.401127 0.161885 O\n0.948066 0.401127 0.661885 O\n0.448066 0.598873 0.838115 O\n",
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"formula_full": "K8 Ca8 P24 H32 O88",
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{
"id": "mp-554650",
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"structure_string": "La2 H12 Cl6 O18\n1.0\n4.069554 -7.048674 0.000000\n4.069554 7.048674 0.000000\n0.000000 0.000000 8.411976\nLa H Cl O\n2 12 6 18\ndirect\n0.666667 0.333333 0.250000 La\n0.333333 0.666667 0.750000 La\n0.650778 0.548636 0.656070 H\n0.548636 0.650778 0.156070 H\n0.102142 0.451364 0.156070 H\n0.650778 0.548636 0.843930 H\n0.349222 0.897858 0.156070 H\n0.897858 0.349222 0.656070 H\n0.451364 0.102142 0.843930 H\n0.349222 0.897858 0.343930 H\n0.451364 0.102142 0.656070 H\n0.897858 0.349222 0.843930 H\n0.102142 0.451364 0.343930 H\n0.548636 0.650778 0.343930 H\n0.762152 0.000000 0.000000 Cl\n0.237848 0.237848 0.500000 Cl\n0.000000 0.762152 0.000000 Cl\n0.762152 0.000000 0.500000 Cl\n0.000000 0.762152 0.500000 Cl\n0.237848 0.237848 0.000000 Cl\n0.978292 0.411308 0.750000 O\n0.187153 0.748795 0.510529 O\n0.561642 0.812847 0.989471 O\n0.748795 0.187153 0.010529 O\n0.588692 0.566984 0.750000 O\n0.438358 0.251205 0.010529 O\n0.566984 0.588692 0.250000 O\n0.251205 0.438358 0.510529 O\n0.812847 0.561642 0.010529 O\n0.812847 0.561642 0.489471 O\n0.251205 0.438358 0.989471 O\n0.748795 0.187153 0.489471 O\n0.411308 0.978292 0.250000 O\n0.021708 0.433016 0.250000 O\n0.438358 0.251205 0.489471 O\n0.561642 0.812847 0.510529 O\n0.187153 0.748795 0.989471 O\n0.433016 0.021708 0.750000 O\n",
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{
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{
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{
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{
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