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{
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{
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"structure_string": "Si16 O32\n1.0\n4.346962 0.000000 0.000000\n-0.000000 12.349254 -0.000000\n0.000000 -0.000000 12.349254\nSi O\n16 32\ndirect\n0.741775 0.854693 0.522051 Si\n0.741775 0.022051 0.354693 Si\n0.258224 0.354693 0.022051 Si\n0.258224 0.854693 0.977949 Si\n0.258224 0.522051 0.854693 Si\n0.741775 0.145307 0.022051 Si\n0.741775 0.477949 0.145307 Si\n0.741775 0.645307 0.977949 Si\n0.741775 0.522051 0.645307 Si\n0.258224 0.977949 0.645307 Si\n0.741775 0.354693 0.477949 Si\n0.258224 0.145307 0.477949 Si\n0.258224 0.022051 0.145307 Si\n0.258224 0.645307 0.522051 Si\n0.258224 0.477949 0.354693 Si\n0.741775 0.977949 0.854693 Si\n0.124980 0.095736 0.595736 O\n0.124980 0.404264 0.904263 O\n0.500000 0.250000 0.498696 O\n0.000000 0.125474 0.125474 O\n0.500000 0.498696 0.250000 O\n0.000000 0.625474 0.874526 O\n0.875020 0.595736 0.095736 O\n0.500000 0.437589 0.062411 O\n0.124980 0.595736 0.404264 O\n0.875020 0.904263 0.404264 O\n0.000000 0.125474 0.374526 O\n0.500000 0.437589 0.437589 O\n0.500000 0.937589 0.562411 O\n0.875020 0.095736 0.904263 O\n0.000000 0.374526 0.374526 O\n0.500000 0.750000 0.501304 O\n0.500000 0.501304 0.750000 O\n0.500000 0.562411 0.937589 O\n0.500000 0.062411 0.437589 O\n0.000000 0.374526 0.125474 O\n0.500000 0.250000 0.001304 O\n0.500000 0.937589 0.937589 O\n0.000000 0.874526 0.625474 O\n0.000000 0.625474 0.625474 O\n0.500000 0.001304 0.250000 O\n0.500000 0.998696 0.750000 O\n0.500000 0.062411 0.062411 O\n0.500000 0.562411 0.562411 O\n0.000000 0.874526 0.874526 O\n0.124980 0.904263 0.095736 O\n0.500000 0.750000 0.998696 O\n0.875020 0.404264 0.595736 O\n",
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{
"id": "jvasp-98776",
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"structure_string": "Si16 O32\n1.0\n4.966429 0.001865 -0.072412\n-2.381590 11.947439 -2.874950\n-0.079527 0.126437 14.875628\nSi O\n16 32\ndirect\n0.879519 0.906188 0.355435 Si\n0.320578 0.784009 0.272502 Si\n0.212853 0.580033 0.370237 Si\n0.161730 0.147728 0.443576 Si\n0.787148 0.419968 0.629764 Si\n0.838270 0.852273 0.556425 Si\n0.274425 0.713046 0.570789 Si\n0.679422 0.215992 0.727499 Si\n0.357168 0.560447 0.700344 Si\n0.120481 0.093813 0.644565 Si\n0.215791 0.529781 0.891927 Si\n0.346037 0.613377 0.096834 Si\n0.653963 0.386624 0.903166 Si\n0.642832 0.439553 0.299657 Si\n0.725575 0.286954 0.429212 Si\n0.784210 0.470220 0.108073 Si\n0.030931 0.035245 0.366629 O\n0.101703 0.128510 0.546099 O\n0.329952 0.670573 0.663427 O\n0.508866 0.821419 0.566080 O\n0.491134 0.178582 0.433921 O\n0.886444 0.480951 0.872387 O\n0.027722 0.823705 0.281031 O\n0.437200 0.109144 0.683091 O\n0.641436 0.577064 0.105884 O\n-0.023917 0.749146 0.572393 O\n0.279952 0.610849 0.481574 O\n0.662964 0.312065 0.670477 O\n0.720048 0.389152 0.518427 O\n0.898297 0.871491 0.453901 O\n0.358564 0.422937 0.894117 O\n0.641950 0.264483 0.836244 O\n0.969069 0.964756 0.633371 O\n0.722757 0.380138 0.009099 O\n0.972278 0.176296 0.718969 O\n0.118074 0.453303 0.652280 O\n0.348129 0.473890 0.323888 O\n0.023917 0.250854 0.427607 O\n0.562800 0.890857 0.316910 O\n0.670048 0.329428 0.336573 O\n0.881926 0.546697 0.347721 O\n0.668878 0.408775 0.188475 O\n0.337036 0.687936 0.329524 O\n0.651872 0.526111 0.676113 O\n0.358050 0.735518 0.163756 O\n0.113556 0.519050 0.127614 O\n0.277243 0.619862 0.990901 O\n0.331122 0.591225 0.811525 O\n",
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{
"id": "jvasp-97862",
"created_at": "2022-09-04T14:35:53.019091Z",
"updated_at": "2022-09-04T14:35:53.019118Z",
"structure_string": "Si16 O32\n1.0\n8.371167 0.000000 0.000000\n0.000000 9.428439 -0.000000\n0.000000 0.000000 9.459697\nSi O\n16 32\ndirect\n0.313143 0.192207 0.099856 Si\n0.186898 0.899358 0.191827 Si\n0.686858 0.692207 0.400145 Si\n0.313143 0.692207 0.400145 Si\n0.813102 0.399358 0.308173 Si\n0.686858 0.807794 0.900145 Si\n0.813102 0.600642 0.691827 Si\n0.813102 0.899358 0.191827 Si\n0.686858 0.192207 0.099856 Si\n0.686858 0.307793 0.599856 Si\n0.813102 0.100642 0.808174 Si\n0.186898 0.600642 0.691827 Si\n0.313143 0.807794 0.900145 Si\n0.313143 0.307793 0.599856 Si\n0.186898 0.399358 0.308173 Si\n0.186898 0.100642 0.808174 Si\n0.749443 0.846080 0.345426 O\n0.208249 0.429821 0.679232 O\n0.250557 0.653920 0.845427 O\n0.000000 0.640243 0.670752 O\n0.749443 0.346080 0.154574 O\n0.749443 0.653920 0.845427 O\n0.250557 0.846080 0.345426 O\n0.291214 0.318659 0.429522 O\n0.708786 0.318659 0.429522 O\n0.749443 0.153920 0.654574 O\n0.791752 0.929821 0.820768 O\n0.291214 0.681341 0.570479 O\n0.000000 0.359758 0.329249 O\n0.291214 0.818659 0.070478 O\n0.250557 0.153920 0.654574 O\n0.708786 0.181341 0.929522 O\n0.208249 0.570180 0.320768 O\n0.291214 0.181341 0.929522 O\n0.500000 0.330339 0.638772 O\n0.000000 0.140242 0.829249 O\n0.208249 0.929821 0.820768 O\n0.791752 0.570180 0.320768 O\n0.708786 0.818659 0.070478 O\n0.708786 0.681341 0.570479 O\n0.500000 0.169661 0.138772 O\n0.000000 0.859758 0.170752 O\n0.791752 0.429821 0.679232 O\n0.250557 0.346080 0.154574 O\n0.208249 0.070180 0.179232 O\n0.500000 0.669661 0.361228 O\n0.500000 0.830339 0.861228 O\n0.791752 0.070180 0.179232 O\n",
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{
"id": "jvasp-101370",
"created_at": "2022-09-04T14:36:31.524594Z",
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"structure_string": "Si16 O32\n1.0\n8.494149 0.000003 -3.447558\n-1.399221 8.378276 -3.447593\n0.026904 0.031718 12.254574\nSi O\n16 32\ndirect\n0.764673 0.508156 0.866891 Si\n0.897789 0.491852 0.133108 Si\n0.858735 0.102210 0.366890 Si\n0.897783 0.141266 0.133107 Si\n0.141264 0.897790 0.633110 Si\n0.764673 0.858738 0.866895 Si\n0.235327 0.491844 0.133108 Si\n0.491849 0.235323 0.633111 Si\n0.858739 0.764677 0.366892 Si\n0.102211 0.508149 0.866891 Si\n0.102217 0.858734 0.866893 Si\n0.508150 0.764677 0.366889 Si\n0.235327 0.141263 0.133105 Si\n0.141261 0.235324 0.633107 Si\n0.508143 0.102204 0.366889 Si\n0.491857 0.897796 0.633111 Si\n0.147740 0.852260 0.750000 O\n0.397754 0.602245 0.250002 O\n0.308944 0.237928 0.617887 O\n0.120044 0.691051 0.882109 O\n0.500004 0.775415 0.500001 O\n0.308951 0.879972 0.617894 O\n0.879955 0.308950 0.117891 O\n0.000005 0.775399 0.499999 O\n0.762062 0.691059 0.882119 O\n0.691049 0.120029 0.382106 O\n0.602246 0.397756 0.749998 O\n-0.000005 0.224602 0.500001 O\n0.397744 0.147752 0.250004 O\n0.499996 0.224585 0.499999 O\n0.224610 -0.000006 0.000002 O\n0.147748 0.397744 0.750001 O\n0.691055 0.762072 0.382113 O\n0.892361 0.918857 0.337719 O\n0.224597 0.499998 0.000000 O\n0.775390 0.000006 -0.000002 O\n0.081140 0.107645 0.162275 O\n0.852252 0.602256 0.249998 O\n0.918860 0.892355 0.837725 O\n0.554666 0.081154 0.662297 O\n0.852259 0.147740 0.250000 O\n0.081149 0.554651 0.162288 O\n0.237937 0.308941 0.117880 O\n0.107638 0.081143 0.662281 O\n0.918850 0.445349 0.837712 O\n0.445334 0.918846 0.337703 O\n0.602255 0.852248 0.749996 O\n0.775404 0.500002 -0.000000 O\n",
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{
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"created_at": "2022-09-04T14:35:41.186631Z",
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"structure_string": "Si16 O32\n1.0\n9.244882 0.000000 4.721878\n4.622441 10.093830 2.360939\n0.031159 -0.000000 11.350129\nSi O\n16 32\ndirect\n0.359896 0.280208 0.500000 Si\n0.859896 0.500000 0.280208 Si\n0.359896 0.500000 0.280208 Si\n0.733804 0.154748 0.377644 Si\n0.266196 0.622356 0.845252 Si\n0.640104 0.500000 0.719792 Si\n0.140104 0.719792 0.500000 Si\n0.888552 0.377644 0.845253 Si\n0.111448 0.622356 0.154748 Si\n0.266196 0.845252 0.622357 Si\n0.640104 0.719792 0.500000 Si\n0.140104 0.500000 0.719792 Si\n0.733804 0.377644 0.154748 Si\n0.888552 0.845252 0.377644 Si\n0.859896 0.280208 0.500000 Si\n0.111448 0.154748 0.622356 Si\n0.167844 -0.000000 0.664313 O\n0.266837 0.534476 0.186860 O\n0.733162 0.465524 0.813140 O\n0.000000 0.243487 0.756513 O\n0.832156 0.335688 0.000000 O\n0.266837 0.186860 0.534476 O\n0.546303 0.465524 0.186860 O\n0.198686 0.534476 0.813140 O\n0.988173 0.465524 0.813140 O\n0.453697 0.813140 0.534477 O\n0.011826 0.534476 0.186860 O\n0.167844 0.664312 0.000000 O\n0.660166 0.626556 0.626557 O\n0.913277 0.373444 0.373444 O\n0.801314 0.186860 0.465524 O\n0.011826 0.186860 0.534476 O\n0.756512 0.243487 0.243488 O\n-0.000000 0.756513 0.243488 O\n0.988173 0.813140 0.465524 O\n0.453697 0.534476 0.813140 O\n0.198686 0.813140 0.534477 O\n0.713279 0.373444 0.626557 O\n0.286721 0.626556 0.373444 O\n0.801314 0.465524 0.186860 O\n0.832156 -0.000000 0.335688 O\n0.546303 0.186860 0.465524 O\n0.713279 0.626556 0.373444 O\n0.286721 0.373444 0.626556 O\n0.733162 0.813140 0.465524 O\n0.243487 0.756513 0.756513 O\n0.086723 0.626556 0.626556 O\n0.339834 0.373444 0.373444 O\n",
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"formula_full": "Si16 O32",
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{
"id": "jvasp-49291",
"created_at": "2022-09-04T14:38:32.568388Z",
"updated_at": "2022-09-04T14:38:32.568412Z",
"structure_string": "Si16 Os8\n1.0\n6.582039 -0.019600 -0.000000\n-1.466181 6.416693 0.000000\n-0.000000 0.000000 8.326468\nSi Os\n16 8\ndirect\n0.924000 0.177888 0.725570 Si\n0.850688 0.595411 0.057271 Si\n0.649312 0.904588 0.557272 Si\n0.095411 0.350687 0.442729 Si\n0.404589 0.149312 0.942729 Si\n0.350688 0.095411 0.442729 Si\n0.904589 0.649312 0.557272 Si\n0.595411 0.850687 0.057271 Si\n0.149312 0.404589 0.942729 Si\n0.322112 0.576000 0.225570 Si\n0.424000 0.677888 0.774430 Si\n0.076000 0.822111 0.274430 Si\n0.822112 0.076000 0.274430 Si\n0.677889 0.424000 0.774430 Si\n0.576000 0.322111 0.225570 Si\n0.177888 0.924000 0.725570 Si\n0.283474 0.716526 0.500000 Os\n0.809835 0.809835 0.816990 Os\n0.690165 0.690165 0.316990 Os\n0.309835 0.309835 0.683010 Os\n0.190165 0.190165 0.183010 Os\n0.716526 0.283474 0.500000 Os\n0.783474 0.216526 0.000000 Os\n0.216526 0.783473 0.000000 Os\n",
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"elements": [
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{
"id": "jvasp-56324",
"created_at": "2022-09-04T14:37:29.238952Z",
"updated_at": "2022-09-04T14:37:29.238979Z",
"structure_string": "Si16 Ru8\n1.0\n6.552490 -0.007783 -0.000000\n-1.480610 6.383022 -0.000000\n0.000000 0.000000 8.272106\nSi Ru\n16 8\ndirect\n0.095781 0.350450 0.555652 Si\n0.904219 0.649550 0.444348 Si\n0.850450 0.595781 0.944349 Si\n0.149550 0.404219 0.055652 Si\n0.323310 0.576958 0.774327 Si\n0.404219 0.149550 0.055652 Si\n0.076958 0.823310 0.725673 Si\n0.923042 0.176690 0.274327 Si\n0.576958 0.323310 0.774327 Si\n0.350450 0.095781 0.555652 Si\n0.676690 0.423042 0.225673 Si\n0.423042 0.676690 0.225673 Si\n0.176690 0.923042 0.274327 Si\n0.649550 0.904219 0.444348 Si\n0.595781 0.850450 0.944349 Si\n0.823310 0.076958 0.725673 Si\n0.784585 0.215415 0.000000 Ru\n0.284585 0.715415 0.500000 Ru\n0.215415 0.784585 0.000000 Ru\n0.310510 0.310510 0.317475 Ru\n0.715415 0.284585 0.500000 Ru\n0.810510 0.810510 0.182525 Ru\n0.689490 0.689490 0.682526 Ru\n0.189490 0.189490 0.817475 Ru\n",
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"spacegroup": 64
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{
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{
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"updated_at": "2022-09-04T14:36:50.118680Z",
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{
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"created_at": "2022-09-04T14:35:58.315106Z",
"updated_at": "2022-09-04T14:35:58.315134Z",
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{
"id": "jvasp-75761",
"created_at": "2022-09-04T14:35:50.248233Z",
"updated_at": "2022-09-04T14:35:50.248258Z",
"structure_string": "Si1 As1 P2\n1.0\n0.000000 3.209269 3.209269\n3.209269 -0.000000 3.209269\n3.209269 3.209269 -0.000000\nSi As P\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Si\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 P\n0.250000 0.250000 0.250000 P\n",
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"formula_anonymous": "ABC2",
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}