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{
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{
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"structure_string": "Ca2 Y2 Si2 O10\n1.0\n4.625091 3.329404 0.000000\n-4.625091 3.329404 0.000000\n0.000000 2.639357 7.554124\nCa Y Si O\n2 2 2 10\ndirect\n0.648536 0.351464 0.750000 Ca\n0.351464 0.648536 0.250000 Ca\n0.000000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.317100 0.682900 0.750000 Si\n0.682900 0.317100 0.250000 Si\n0.891286 0.108714 0.750000 O\n0.108714 0.891286 0.250000 O\n0.586819 0.728704 0.602571 O\n0.413181 0.271296 0.397429 O\n0.271296 0.413181 0.897429 O\n0.728704 0.586819 0.102571 O\n0.341095 0.919577 0.844985 O\n0.658905 0.080423 0.155015 O\n0.080423 0.658905 0.655015 O\n0.919577 0.341095 0.344985 O\n",
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{
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"structure_string": "Ba14 Si2 B6 N2 O26\n1.0\n11.472613 -0.113077 0.000000\n-5.833757 9.851410 0.000000\n0.000000 0.000000 7.452337\nBa Si B N O\n14 2 6 2 26\ndirect\n0.131743 0.857228 0.188375 Ba\n0.047143 0.531872 0.854104 Ba\n0.464175 0.952105 0.853698 Ba\n0.134348 0.261931 0.174257 Ba\n0.337207 0.664584 0.492541 Ba\n0.479600 0.525016 0.854525 Ba\n0.260470 0.122363 0.676049 Ba\n0.739530 0.877637 0.176049 Ba\n0.520400 0.474984 0.354525 Ba\n0.865652 0.738069 0.674257 Ba\n0.535825 0.047895 0.353698 Ba\n0.662793 0.335416 0.992541 Ba\n0.952857 0.468128 0.354104 Ba\n0.868257 0.142772 0.688375 Ba\n0.335320 0.664403 0.083069 Si\n0.664680 0.335597 0.583069 Si\n0.180910 0.810966 0.632955 B\n0.184037 0.357196 0.644552 B\n0.640821 0.824375 0.645619 B\n0.359179 0.175625 0.145619 B\n0.815963 0.642804 0.144552 B\n0.819090 0.189034 0.132955 B\n0.000603 0.000524 0.496989 N\n0.999397 0.999476 0.996989 N\n0.168355 0.851333 0.803852 O\n0.077001 0.687895 0.561269 O\n0.298584 0.890780 0.531638 O\n0.192069 0.646115 0.162279 O\n0.104687 0.401585 0.560218 O\n0.138219 0.275913 0.796952 O\n0.333582 0.662894 0.860424 O\n0.464215 0.810166 0.159046 O\n0.351156 0.537971 0.161145 O\n0.311284 0.395180 0.572405 O\n0.602752 0.915323 0.585184 O\n0.279396 0.147274 0.298079 O\n0.402893 0.296570 0.049302 O\n0.597107 0.703430 0.549302 O\n0.720604 0.852726 0.798079 O\n0.397248 0.084677 0.085184 O\n0.688716 0.604820 0.072405 O\n0.648844 0.462029 0.661146 O\n0.535785 0.189834 0.659047 O\n0.861781 0.724087 0.296952 O\n0.666418 0.337106 0.360424 O\n0.895313 0.598415 0.060218 O\n0.807931 0.353885 0.662280 O\n0.701416 0.109220 0.031638 O\n0.922999 0.312105 0.061269 O\n0.831645 0.148667 0.303852 O\n",
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{
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{
"id": "mp-1238837",
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"structure_string": "B24 H24\n1.0\n6.099841 3.671121 0.000000\n-6.099841 3.671121 0.000000\n0.000000 0.098271 10.828398\nB H\n24 24\ndirect\n0.816271 0.166685 0.594465 B\n0.833315 0.183729 0.905535 B\n0.183729 0.833315 0.405535 B\n0.166685 0.816271 0.094465 B\n0.878030 0.989350 0.682367 B\n0.010650 0.121970 0.817633 B\n0.121970 0.010650 0.317633 B\n0.989350 0.878030 0.182367 B\n0.637110 0.224795 0.682851 B\n0.775205 0.362890 0.817149 B\n0.362890 0.775205 0.317149 B\n0.224795 0.637110 0.182851 B\n0.736966 0.941424 0.824258 B\n0.058576 0.263034 0.675742 B\n0.263034 0.058576 0.175742 B\n0.941424 0.736966 0.324258 B\n0.591448 0.086683 0.823794 B\n0.913317 0.408552 0.676206 B\n0.408552 0.913317 0.176206 B\n0.086683 0.591448 0.323794 B\n0.609042 0.961399 0.685445 B\n0.038601 0.390958 0.814555 B\n0.390958 0.038601 0.314555 B\n0.961399 0.609042 0.185445 B\n0.855254 0.904813 0.129738 H\n0.095187 0.144746 0.370262 H\n0.144746 0.095187 0.870262 H\n0.904813 0.855254 0.629738 H\n0.505727 0.260672 0.632417 H\n0.739328 0.494273 0.867583 H\n0.494273 0.739328 0.367583 H\n0.260672 0.505727 0.132417 H\n0.665641 0.768078 0.875206 H\n0.231922 0.334359 0.624794 H\n0.334359 0.231922 0.124794 H\n0.768078 0.665641 0.375206 H\n0.430589 0.031809 0.885587 H\n0.968191 0.569411 0.614413 H\n0.569411 0.968191 0.114413 H\n0.031809 0.430589 0.385587 H\n0.464870 0.812321 0.638688 H\n0.187679 0.535130 0.861312 H\n0.535130 0.187679 0.361312 H\n0.812321 0.464870 0.138688 H\n0.191257 0.844258 0.517194 H\n0.155742 0.808743 0.982806 H\n0.808743 0.155742 0.482806 H\n0.844258 0.191257 0.017194 H\n",
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{
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{
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