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{
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{
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"structure_string": "Ti8 P12 H28 N4 O52\n1.0\n10.029083 0.000000 0.000000\n0.000000 10.029083 0.000000\n0.000000 0.000000 10.029083\nTi P H N O\n8 12 28 4 52\ndirect\n0.410572 0.910572 0.589428 Ti\n0.910572 0.589428 0.410572 Ti\n0.589428 0.410572 0.910572 Ti\n0.089428 0.089428 0.089428 Ti\n0.141775 0.641775 0.858225 Ti\n0.641775 0.858225 0.141775 Ti\n0.858225 0.141775 0.641775 Ti\n0.358225 0.358225 0.358225 Ti\n0.123519 0.959581 0.771265 P\n0.228735 0.623519 0.540419 P\n0.459581 0.728735 0.876481 P\n0.623519 0.540419 0.228735 P\n0.728735 0.876481 0.459581 P\n0.959581 0.771265 0.123519 P\n0.876481 0.459581 0.728735 P\n0.771265 0.123519 0.959581 P\n0.540419 0.228735 0.623519 P\n0.376481 0.040419 0.271265 P\n0.271265 0.376481 0.040419 P\n0.040419 0.271265 0.376481 P\n0.326340 0.041568 0.925829 H\n0.074171 0.826340 0.458432 H\n0.541568 0.574171 0.673660 H\n0.826340 0.458432 0.074171 H\n0.574171 0.673660 0.541568 H\n0.041568 0.925829 0.326340 H\n0.673660 0.541568 0.574171 H\n0.925829 0.326340 0.041568 H\n0.458432 0.074171 0.826340 H\n0.173660 0.958432 0.425829 H\n0.425829 0.173660 0.958432 H\n0.958432 0.425829 0.173660 H\n0.483062 0.016938 0.983062 H\n0.016938 0.983062 0.483062 H\n0.516938 0.516938 0.516938 H\n0.983062 0.483062 0.016938 H\n0.906279 0.802209 0.780538 H\n0.219462 0.406279 0.697791 H\n0.302209 0.719462 0.093721 H\n0.406279 0.697791 0.219462 H\n0.719462 0.093721 0.302209 H\n0.802209 0.780538 0.906279 H\n0.093721 0.302209 0.719462 H\n0.780538 0.906279 0.802209 H\n0.697791 0.219462 0.406279 H\n0.593721 0.197791 0.280538 H\n0.280538 0.593721 0.197791 H\n0.197791 0.280538 0.593721 H\n0.424138 0.075862 0.924138 N\n0.075862 0.924138 0.424138 N\n0.575862 0.575862 0.575862 N\n0.924138 0.424138 0.075862 N\n0.253666 0.971353 0.690907 O\n0.309093 0.753666 0.528647 O\n0.471353 0.809093 0.746334 O\n0.753666 0.528647 0.309093 O\n0.809093 0.746334 0.471353 O\n0.971353 0.690907 0.253666 O\n0.746334 0.471353 0.809093 O\n0.690907 0.253666 0.971353 O\n0.528647 0.309093 0.753666 O\n0.246334 0.028647 0.190907 O\n0.190907 0.246334 0.028647 O\n0.028647 0.190907 0.246334 O\n0.070572 0.812563 0.768068 O\n0.231932 0.570572 0.687437 O\n0.312563 0.731932 0.929428 O\n0.570572 0.687437 0.231932 O\n0.731932 0.929428 0.312563 O\n0.812563 0.768068 0.070572 O\n0.929428 0.312563 0.731932 O\n0.768068 0.070572 0.812563 O\n0.687437 0.231932 0.570572 O\n0.429428 0.187437 0.268068 O\n0.268068 0.429428 0.187437 O\n0.187437 0.268068 0.429428 O\n0.148626 0.003145 0.917035 O\n0.082965 0.648626 0.496855 O\n0.503145 0.582965 0.851374 O\n0.648626 0.496855 0.082965 O\n0.582965 0.851374 0.503145 O\n0.003145 0.917035 0.148626 O\n0.851374 0.503145 0.582965 O\n0.917035 0.148626 0.003145 O\n0.496855 0.082965 0.648626 O\n0.351374 0.996855 0.417035 O\n0.417035 0.351374 0.996855 O\n0.996855 0.417035 0.351374 O\n0.018761 0.048793 0.703657 O\n0.296343 0.518761 0.451207 O\n0.548793 0.796343 0.981239 O\n0.518761 0.451207 0.296343 O\n0.796343 0.981239 0.548793 O\n0.048793 0.703657 0.018761 O\n0.981239 0.548793 0.796343 O\n0.703657 0.018761 0.048793 O\n0.451207 0.296343 0.518761 O\n0.481239 0.951207 0.203657 O\n0.203657 0.481239 0.951207 O\n0.951207 0.203657 0.481239 O\n0.807557 0.807557 0.807557 O\n0.192443 0.307557 0.692443 O\n0.307557 0.692443 0.192443 O\n0.692443 0.192443 0.307557 O\n",
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{
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{
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"structure_string": "Ca4 Ti4 Si16 O40\n1.0\n7.484496 0.000000 0.000000\n0.000000 7.484496 0.000000\n0.000000 0.000000 15.532279\nCa Ti Si O\n4 4 16 40\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.580479 Ti\n0.000000 0.500000 0.919521 Ti\n0.000000 0.500000 0.419521 Ti\n0.500000 0.000000 0.080479 Ti\n0.170190 0.252899 0.649542 Si\n0.829810 0.747101 0.649542 Si\n0.252899 0.170190 0.850458 Si\n0.752899 0.329810 0.649542 Si\n0.247101 0.670190 0.649542 Si\n0.329810 0.752899 0.850458 Si\n0.670190 0.247101 0.850458 Si\n0.747101 0.829810 0.850458 Si\n0.329810 0.247101 0.350458 Si\n0.670190 0.752899 0.350458 Si\n0.247101 0.329810 0.149542 Si\n0.747101 0.170190 0.350458 Si\n0.252899 0.829810 0.350458 Si\n0.170190 0.747101 0.149542 Si\n0.829810 0.252899 0.149542 Si\n0.752899 0.670190 0.149542 Si\n0.248756 0.106951 0.582959 O\n0.751244 0.893049 0.582959 O\n0.106951 0.248756 0.917041 O\n0.606951 0.251244 0.582959 O\n0.393049 0.748756 0.582959 O\n0.251244 0.606951 0.917041 O\n0.748756 0.393049 0.917041 O\n0.893049 0.751244 0.917041 O\n0.251244 0.393049 0.417041 O\n0.748756 0.606951 0.417041 O\n0.393049 0.251244 0.082959 O\n0.893049 0.248756 0.417041 O\n0.106951 0.751244 0.417041 O\n0.248756 0.893049 0.082959 O\n0.751244 0.106951 0.082959 O\n0.250259 0.046576 0.370171 O\n0.606951 0.748756 0.082959 O\n0.750259 0.546576 0.629829 O\n0.453424 0.249741 0.870171 O\n0.953424 0.250259 0.629829 O\n0.046576 0.749741 0.629829 O\n0.250259 0.953424 0.870171 O\n0.749741 0.046576 0.870171 O\n0.546576 0.750259 0.870171 O\n0.706113 0.706113 0.250000 O\n0.793887 0.206113 0.250000 O\n0.206113 0.793887 0.250000 O\n0.293887 0.293887 0.250000 O\n0.793887 0.793887 0.750000 O\n0.706113 0.293887 0.750000 O\n0.293887 0.706113 0.750000 O\n0.206113 0.206113 0.750000 O\n0.953424 0.749741 0.129829 O\n0.750259 0.453424 0.129829 O\n0.249741 0.546576 0.129829 O\n0.453424 0.750259 0.370171 O\n0.546576 0.249741 0.370171 O\n0.046576 0.250259 0.129829 O\n0.749741 0.953424 0.370171 O\n0.249741 0.453424 0.629829 O\n",
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{
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