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{
"id": "mp-1199088",
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},
{
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"structure_string": "P24 O24 F36\n1.0\n6.617468 -11.461791 0.000000\n6.617468 11.461791 0.000000\n0.000000 0.000000 9.540300\nP O F\n24 24 36\ndirect\n0.333333 0.666667 0.966952 P\n0.883393 0.435493 0.352326 P\n0.000000 0.000000 0.421459 P\n0.551209 0.763053 0.785744 P\n0.939084 0.788064 0.099543 P\n0.211844 0.763053 0.285744 P\n0.211844 0.448791 0.785744 P\n0.883393 0.447900 0.852326 P\n0.666667 0.333333 0.532272 P\n0.666667 0.333333 0.032272 P\n0.939084 0.151020 0.599543 P\n0.552100 0.116607 0.352326 P\n0.848980 0.788064 0.599543 P\n0.552100 0.435493 0.852326 P\n0.564507 0.116607 0.852326 P\n0.211936 0.060916 0.599543 P\n0.211936 0.151020 0.099543 P\n0.848980 0.060916 0.099543 P\n0.333333 0.666667 0.466952 P\n0.551209 0.788156 0.285744 P\n0.236947 0.448791 0.285744 P\n0.564507 0.447900 0.352326 P\n0.000000 0.000000 0.921459 P\n0.236947 0.788156 0.785744 P\n0.644073 0.213183 0.469026 O\n0.569110 0.355927 0.469026 O\n0.921320 0.047723 0.484993 O\n0.302433 0.543938 0.904106 O\n0.786817 0.355927 0.969026 O\n0.126403 0.047723 0.984993 O\n0.302433 0.758494 0.404106 O\n0.241506 0.543938 0.404106 O\n0.644073 0.430890 0.969026 O\n0.456062 0.697567 0.404106 O\n0.921320 0.873597 0.984993 O\n0.786817 0.430890 0.469026 O\n0.333333 0.666667 0.121732 O\n0.456062 0.758494 0.904106 O\n0.126403 0.078680 0.484993 O\n0.952277 0.078680 0.984993 O\n0.000000 0.000000 0.766775 O\n0.666667 0.333333 0.187039 O\n0.241506 0.697567 0.904106 O\n0.333333 0.666667 0.621732 O\n0.000000 0.000000 0.266775 O\n0.569110 0.213183 0.969026 O\n0.666667 0.333333 0.687039 O\n0.952277 0.873597 0.484993 O\n0.451223 0.099569 0.770398 F\n0.820223 0.747096 0.182253 F\n0.510105 0.005687 0.453665 F\n0.994313 0.504418 0.453665 F\n0.926873 0.179777 0.182253 F\n0.169642 0.832672 0.886154 F\n0.123945 0.432184 0.204798 F\n0.663030 0.830358 0.886154 F\n0.663030 0.832672 0.386154 F\n0.510105 0.504418 0.953665 F\n0.323114 0.109877 0.497686 F\n0.451223 0.351654 0.270398 F\n0.648346 0.099569 0.270398 F\n0.890123 0.213237 0.497686 F\n0.323114 0.213237 0.997686 F\n0.495582 0.005687 0.953665 F\n0.495582 0.489895 0.453665 F\n0.994313 0.489895 0.953665 F\n0.567816 0.691762 0.204798 F\n0.890123 0.676886 0.997686 F\n0.252904 0.179777 0.682253 F\n0.786763 0.109877 0.997686 F\n0.167328 0.336970 0.886154 F\n0.169642 0.336970 0.386154 F\n0.252904 0.073127 0.182253 F\n0.926873 0.747096 0.682253 F\n0.900431 0.351654 0.770398 F\n0.123945 0.691762 0.704798 F\n0.167328 0.830358 0.386154 F\n0.567816 0.876055 0.704798 F\n0.308238 0.876055 0.204798 F\n0.648346 0.548777 0.770398 F\n0.786763 0.676886 0.497686 F\n0.820223 0.073127 0.682253 F\n0.900431 0.548777 0.270398 F\n0.308238 0.432184 0.704798 F\n",
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{
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{
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"structure_string": "V8 Zn4 H72 N24 O40\n1.0\n7.764114 0.000000 0.000000\n0.000000 12.651455 0.000000\n-7.084808 0.000000 14.996857\nV Zn H N O\n8 4 72 24 40\ndirect\n0.849252 0.619379 0.044106 V\n0.849252 0.880621 0.544106 V\n0.150748 0.380621 0.955894 V\n0.150748 0.119379 0.455894 V\n0.871398 0.988391 0.116156 V\n0.871398 0.511609 0.616156 V\n0.128602 0.011609 0.883844 V\n0.128602 0.488391 0.383844 V\n0.488530 0.684401 0.204667 Zn\n0.488530 0.815599 0.704667 Zn\n0.511470 0.315599 0.795333 Zn\n0.511470 0.184401 0.295333 Zn\n0.920509 0.466123 0.167067 H\n0.920509 0.033877 0.667067 H\n0.079491 0.533877 0.832933 H\n0.079491 0.966123 0.332933 H\n0.897280 0.413750 0.070556 H\n0.897280 0.086250 0.570556 H\n0.102720 0.586250 0.929444 H\n0.102720 0.913750 0.429444 H\n0.704363 0.445130 0.086119 H\n0.704363 0.054870 0.586119 H\n0.295637 0.554870 0.913881 H\n0.295637 0.945130 0.413881 H\n0.603467 0.963157 0.948139 H\n0.603467 0.536843 0.448139 H\n0.396533 0.036843 0.051861 H\n0.396533 0.463157 0.551861 H\n0.740667 0.855301 0.979133 H\n0.740667 0.644699 0.479133 H\n0.259333 0.144699 0.020867 H\n0.259333 0.355301 0.520867 H\n0.815691 0.965351 0.946470 H\n0.815691 0.534649 0.446470 H\n0.184309 0.034649 0.053530 H\n0.184309 0.465351 0.553530 H\n0.861543 0.696483 0.312462 H\n0.861543 0.803517 0.812462 H\n0.138457 0.303517 0.687538 H\n0.138457 0.196483 0.187538 H\n0.742530 0.786066 0.341314 H\n0.742530 0.713934 0.841314 H\n0.257470 0.213934 0.658686 H\n0.257470 0.286066 0.158686 H\n0.785690 0.805564 0.252951 H\n0.785690 0.694436 0.752951 H\n0.214310 0.194436 0.747049 H\n0.214310 0.305564 0.247049 H\n0.469999 0.696116 0.046300 H\n0.469999 0.803884 0.546300 H\n0.530001 0.303884 0.953700 H\n0.530001 0.196116 0.453700 H\n0.488453 0.817053 0.086166 H\n0.488453 0.682947 0.586166 H\n0.511547 0.182947 0.913834 H\n0.511547 0.317053 0.413834 H\n0.278274 0.753462 0.046709 H\n0.278274 0.746538 0.546709 H\n0.721726 0.246538 0.953291 H\n0.721726 0.253462 0.453291 H\n0.445665 0.492535 0.145483 H\n0.445665 0.007465 0.645483 H\n0.554335 0.507465 0.854517 H\n0.554335 0.992535 0.354517 H\n0.410280 0.498336 0.237389 H\n0.410280 0.001664 0.737389 H\n0.589720 0.501664 0.762611 H\n0.589720 0.998336 0.262611 H\n0.632981 0.495607 0.244558 H\n0.632981 0.004393 0.744558 H\n0.367019 0.504393 0.755442 H\n0.367019 0.995607 0.255442 H\n0.204162 0.779016 0.224363 H\n0.204162 0.720984 0.724363 H\n0.795838 0.220984 0.775637 H\n0.795838 0.279016 0.275637 H\n0.385331 0.761043 0.323062 H\n0.385331 0.738957 0.823062 H\n0.614669 0.238957 0.676938 H\n0.614669 0.261043 0.176938 H\n0.243604 0.661269 0.271927 H\n0.243604 0.838731 0.771927 H\n0.756396 0.338731 0.728073 H\n0.756396 0.161269 0.228073 H\n0.840866 0.468168 0.099523 N\n0.840866 0.031832 0.599523 N\n0.159134 0.531832 0.900477 N\n0.159134 0.968168 0.400477 N\n0.742084 0.936430 0.980901 N\n0.742084 0.563570 0.480901 N\n0.257916 0.063570 0.019099 N\n0.257916 0.436430 0.519099 N\n0.749851 0.748954 0.287468 N\n0.749851 0.751046 0.787468 N\n0.250149 0.251046 0.712532 N\n0.250149 0.248954 0.212532 N\n0.423242 0.745119 0.082146 N\n0.423242 0.754881 0.582146 N\n0.576758 0.254881 0.917854 N\n0.576758 0.245119 0.417854 N\n0.496666 0.524315 0.208698 N\n0.496666 0.975685 0.708698 N\n0.503334 0.475685 0.791302 N\n0.503334 0.024315 0.291302 N\n0.309518 0.727021 0.261898 N\n0.309518 0.772979 0.761898 N\n0.690482 0.272979 0.738102 N\n0.690482 0.227021 0.238102 N\n0.039889 0.666372 0.009288 O\n0.039889 0.833628 0.509288 O\n0.960111 0.333628 0.990712 O\n0.960111 0.166372 0.490712 O\n0.105160 0.579190 0.073685 O\n0.105160 0.920810 0.573685 O\n0.894840 0.420810 0.926315 O\n0.894840 0.079190 0.426315 O\n0.658938 0.684607 0.937933 O\n0.658938 0.815393 0.437933 O\n0.341062 0.315393 0.062067 O\n0.341062 0.184607 0.562067 O\n0.587896 0.589583 0.965189 O\n0.587896 0.910417 0.465189 O\n0.412104 0.410417 0.034811 O\n0.412104 0.089583 0.534811 O\n0.116952 0.949497 0.205027 O\n0.116952 0.550503 0.705027 O\n0.883048 0.050503 0.794973 O\n0.883048 0.449497 0.294973 O\n0.088592 0.922571 0.114034 O\n0.088592 0.577429 0.614034 O\n0.911408 0.077429 0.885966 O\n0.911408 0.422571 0.385966 O\n0.766646 0.975077 0.202297 O\n0.766646 0.524923 0.702297 O\n0.233354 0.024923 0.797703 O\n0.233354 0.475077 0.297703 O\n0.627712 0.952976 0.110338 O\n0.627712 0.547024 0.610338 O\n0.372288 0.047024 0.889662 O\n0.372288 0.452976 0.389662 O\n0.851449 0.693544 0.125656 O\n0.851449 0.806456 0.625656 O\n0.148551 0.306456 0.874344 O\n0.148551 0.193544 0.374344 O\n0.881296 0.115373 0.098202 O\n0.881296 0.384627 0.598202 O\n0.118704 0.884627 0.901798 O\n0.118704 0.615373 0.401798 O\n",
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{
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{
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