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{
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{
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{
"id": "mp-1084851",
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"structure_string": "Ce12 Se24\n1.0\n11.726304 -14.853104 0.000000\n11.726304 14.853104 0.000000\n0.000000 0.000000 8.714007\nCe Se\n12 24\ndirect\n0.237392 0.338617 0.239897 Ce\n0.661383 0.762608 0.239897 Ce\n0.762608 0.661383 0.739897 Ce\n0.338617 0.237392 0.739897 Ce\n0.990814 0.416380 0.192180 Ce\n0.583620 0.009186 0.192180 Ce\n0.009186 0.583620 0.692180 Ce\n0.416380 0.990814 0.692180 Ce\n0.284952 0.715048 0.666978 Ce\n0.715048 0.284952 0.166978 Ce\n0.384766 0.615234 0.174781 Ce\n0.615234 0.384766 0.674781 Ce\n0.273715 0.256195 0.011048 Se\n0.743805 0.726285 0.011048 Se\n0.726285 0.743805 0.511048 Se\n0.256195 0.273715 0.511048 Se\n0.095427 0.339871 0.192910 Se\n0.660129 0.904573 0.192910 Se\n0.904573 0.660129 0.692910 Se\n0.339871 0.095427 0.692910 Se\n0.334564 0.469642 0.219899 Se\n0.530358 0.665436 0.219899 Se\n0.665436 0.530358 0.719899 Se\n0.469642 0.334564 0.719899 Se\n0.999752 0.514690 0.964216 Se\n0.485310 0.000248 0.964216 Se\n0.000248 0.485310 0.464216 Se\n0.514690 0.999752 0.464216 Se\n0.139681 0.678447 0.705466 Se\n0.321553 0.860319 0.705466 Se\n0.860319 0.321553 0.205466 Se\n0.678447 0.139681 0.205466 Se\n0.350029 0.649971 0.886320 Se\n0.649971 0.350029 0.386320 Se\n0.313954 0.686046 0.370689 Se\n0.686046 0.313954 0.870689 Se\n",
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{
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{
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"structure_string": "C8 O16\n1.0\n5.141777 -5.119219 0.000000\n5.141777 5.119219 0.000000\n0.045018 0.000000 7.255498\nC O\n8 16\ndirect\n0.500000 0.500000 0.500000 C\n0.000000 0.000000 0.000000 C\n0.250000 0.999756 0.500244 C\n0.500244 0.250000 0.999756 C\n0.999756 0.500244 0.250000 C\n0.000244 0.499756 0.750000 C\n0.750000 0.000244 0.499756 C\n0.499756 0.750000 0.000244 C\n0.406907 0.406907 0.406907 O\n0.906907 0.906907 0.906907 O\n0.593093 0.593093 0.593093 O\n0.093093 0.093093 0.093093 O\n0.164798 0.097271 0.597892 O\n0.597892 0.164798 0.097271 O\n0.097271 0.597892 0.164798 O\n0.097892 0.597271 0.664798 O\n0.664798 0.097892 0.597271 O\n0.597271 0.664798 0.097892 O\n0.835202 0.902729 0.402108 O\n0.402108 0.835202 0.902729 O\n0.902729 0.402108 0.835202 O\n0.902108 0.402729 0.335202 O\n0.335202 0.902108 0.402729 O\n0.402729 0.335202 0.902108 O\n",
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{
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{
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{
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"structure_string": "Ce28 Se56\n1.0\n0.000000 14.370796 0.000000\n-0.008766 0.000000 21.157543\n24.604199 0.000000 -7.055569\nCe Se\n28 56\ndirect\n0.184050 0.859700 0.110219 Ce\n0.815950 0.859700 0.110219 Ce\n0.815950 0.140300 0.889781 Ce\n0.184050 0.140300 0.889781 Ce\n0.816294 0.116670 0.218757 Ce\n0.183706 0.116670 0.218757 Ce\n0.183706 0.883330 0.781243 Ce\n0.816294 0.883330 0.781243 Ce\n0.314700 0.095068 0.406063 Ce\n0.685300 0.095068 0.406063 Ce\n0.685300 0.904932 0.593937 Ce\n0.314700 0.904932 0.593937 Ce\n0.817100 0.863850 0.402564 Ce\n0.182900 0.863850 0.402564 Ce\n0.182900 0.136150 0.597436 Ce\n0.817100 0.136150 0.597436 Ce\n0.316481 0.708063 0.228672 Ce\n0.683519 0.708063 0.228672 Ce\n0.683519 0.291937 0.771328 Ce\n0.316481 0.291937 0.771328 Ce\n0.812651 0.488009 0.097297 Ce\n0.187349 0.488009 0.097297 Ce\n0.187349 0.511991 0.902703 Ce\n0.812651 0.511991 0.902703 Ce\n0.686019 0.753377 0.913419 Ce\n0.313981 0.753377 0.913419 Ce\n0.313981 0.246623 0.086581 Ce\n0.686019 0.246623 0.086581 Ce\n-0.000000 0.830799 0.111660 Se\n-0.000000 0.169201 0.888340 Se\n-0.000000 0.146182 0.216951 Se\n-0.000000 0.853818 0.783049 Se\n0.500000 0.121881 0.413222 Se\n0.500000 0.878119 0.586778 Se\n-0.000000 0.897036 0.404865 Se\n-0.000000 0.102964 0.595135 Se\n0.500000 0.715543 0.255419 Se\n0.500000 0.284457 0.744581 Se\n-0.000000 0.505528 0.103678 Se\n-0.000000 0.494472 0.896322 Se\n0.500000 0.739706 0.926027 Se\n0.500000 0.260294 0.073973 Se\n0.230573 0.157818 0.501185 Se\n0.769427 0.157818 0.501185 Se\n0.769427 0.842182 0.498815 Se\n0.230573 0.842182 0.498815 Se\n0.242349 0.835582 0.005561 Se\n0.757651 0.835582 0.005561 Se\n0.757651 0.164418 0.994439 Se\n0.242349 0.164418 0.994439 Se\n0.270761 0.581089 0.178728 Se\n0.729239 0.581089 0.178728 Se\n0.729239 0.418911 0.821272 Se\n0.270761 0.418911 0.821272 Se\n0.282101 0.783243 0.160266 Se\n0.717899 0.783243 0.160266 Se\n0.717899 0.216757 0.839734 Se\n0.282101 0.216757 0.839734 Se\n0.210611 0.988651 0.163210 Se\n0.789389 0.988651 0.163210 Se\n0.789389 0.011349 0.836790 Se\n0.210611 0.011349 0.836790 Se\n0.287917 0.963544 0.386700 Se\n0.712083 0.963544 0.386700 Se\n0.712083 0.036456 0.613300 Se\n0.287917 0.036456 0.613300 Se\n0.716723 0.195259 0.171410 Se\n0.283276 0.195259 0.171410 Se\n0.283276 0.804741 0.828590 Se\n0.716723 0.804741 0.828590 Se\n0.752146 0.500000 -0.000000 Se\n0.247855 0.500000 -0.000000 Se\n0.759988 0.135944 0.323369 Se\n0.240011 0.135944 0.323369 Se\n0.240011 0.864056 0.676631 Se\n0.759988 0.864056 0.676631 Se\n0.769820 0.366047 0.105945 Se\n0.230180 0.366047 0.105945 Se\n0.230180 0.633953 0.894055 Se\n0.769820 0.633953 0.894055 Se\n0.787015 0.753328 0.320239 Se\n0.212985 0.753328 0.320239 Se\n0.212985 0.246672 0.679761 Se\n0.787015 0.246672 0.679761 Se\n",
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