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{
"id": "jvasp-88224",
"created_at": "2022-09-04T14:36:21.236031Z",
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"structure_string": "Rb2 Ti4 P6 O24\n1.0\n7.466374 -0.011972 5.540864\n2.781389 6.928981 5.540864\n-0.017737 -0.011972 9.297720\nRb Ti P O\n2 4 6 24\ndirect\n0.000000 0.000000 0.000000 Rb\n0.499999 0.500000 0.500000 Rb\n0.349157 0.349158 0.349158 Ti\n0.849157 0.849158 0.849157 Ti\n0.650842 0.650843 0.650842 Ti\n0.150842 0.150842 0.150842 Ti\n0.971158 0.528842 0.250000 P\n0.250000 0.971159 0.528841 P\n0.528841 0.250000 0.971159 P\n0.749999 0.028842 0.471159 P\n0.471158 0.750000 0.028841 P\n0.028841 0.471159 0.750000 P\n0.429633 0.567566 0.196521 O\n0.070366 0.303479 0.932434 O\n0.303479 0.932435 0.070366 O\n0.932434 0.070367 0.303479 O\n0.567565 0.196522 0.429633 O\n0.196521 0.429634 0.567565 O\n0.845345 0.486942 0.766322 O\n0.067565 0.929633 0.696521 O\n0.486941 0.766322 0.845346 O\n0.766321 0.845346 0.486941 O\n0.733677 0.013059 0.654654 O\n0.013058 0.654654 0.733678 O\n0.654654 0.733678 0.013058 O\n0.154654 0.513058 0.233678 O\n0.696520 0.067566 0.929633 O\n0.513058 0.233678 0.154654 O\n0.266322 0.986942 0.345345 O\n0.986941 0.345346 0.266322 O\n0.345345 0.266322 0.986942 O\n0.570366 0.432435 0.803478 O\n0.803478 0.570367 0.432434 O\n0.432434 0.803479 0.570366 O\n0.233678 0.154654 0.513058 O\n0.929633 0.696522 0.067565 O\n",
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{
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"updated_at": "2022-09-04T14:36:12.656868Z",
"structure_string": "Zn8 As4 H4 O20\n1.0\n8.337654 -0.000004 -0.000001\n-0.000004 8.627122 -0.000003\n0.000000 -0.000002 6.140007\nZn As H O\n8 4 4 20\ndirect\n0.500000 0.500000 0.747263 Zn\n-0.000000 0.000000 0.752738 Zn\n0.500000 0.500000 0.252738 Zn\n-0.000000 0.000000 0.247263 Zn\n0.634960 0.135669 0.500000 Zn\n0.365040 0.864332 0.500001 Zn\n0.134960 0.364332 0.000000 Zn\n0.865040 0.635669 0.000000 Zn\n0.748000 0.253501 0.000000 As\n0.252000 0.746499 0.000000 As\n0.247999 0.246500 0.500000 As\n0.752001 0.753502 0.500001 As\n0.781664 0.915585 0.000001 H\n0.218336 0.084415 0.000000 H\n0.718336 0.415585 0.500001 H\n0.281664 0.584415 0.500001 H\n0.394206 0.105876 0.500000 O\n0.769411 0.133781 0.223698 O\n0.230589 0.866220 0.223699 O\n0.730588 0.633780 0.723700 O\n0.269411 0.366220 0.723698 O\n0.230589 0.866219 0.776303 O\n0.769411 0.133782 0.776302 O\n0.605795 0.894124 0.500001 O\n0.105795 0.605876 0.000000 O\n0.432350 0.647859 0.000000 O\n0.890380 0.872039 0.000001 O\n0.109619 0.127962 0.000000 O\n0.390382 0.627963 0.500001 O\n0.609619 0.372039 0.500000 O\n0.932350 0.852141 0.500001 O\n0.067651 0.147859 0.500000 O\n0.730588 0.633780 0.276303 O\n0.567650 0.352141 0.000000 O\n0.894206 0.394125 0.000000 O\n0.269412 0.366219 0.276303 O\n",
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{
"id": "jvasp-91467",
"created_at": "2022-09-04T14:35:44.280031Z",
"updated_at": "2022-09-04T14:35:44.280066Z",
"structure_string": "Mn4 P8 O24\n1.0\n6.924766 0.038071 -2.471123\n-3.046161 6.589846 -1.164098\n0.019712 -0.012055 9.927980\nMn P O\n4 8 24\ndirect\n0.500001 0.500001 0.500000 Mn\n0.500000 -0.000000 0.000000 Mn\n0.294392 0.544392 0.750000 Mn\n0.705609 0.455609 0.250000 Mn\n0.768192 0.220190 0.520173 P\n0.799984 0.751983 0.020173 P\n0.231809 0.779812 0.479827 P\n0.200017 0.248019 0.979828 P\n0.498394 0.810224 0.300898 P\n0.990675 0.802505 0.800898 P\n0.501607 0.189777 0.699102 P\n0.009326 0.197496 0.199102 P\n0.470893 0.380457 0.683587 O\n0.242436 0.413026 0.910997 O\n0.002027 0.331438 0.589003 O\n0.384693 0.214063 0.080612 O\n0.633451 0.304080 0.419388 O\n0.615308 0.785938 0.919388 O\n0.366550 0.695921 0.580613 O\n0.803131 0.212694 0.183587 O\n0.529108 0.619544 0.316414 O\n0.196870 0.787307 0.816414 O\n0.193157 0.298561 0.346992 O\n0.938410 0.720218 0.930732 O\n0.806844 0.701440 0.653009 O\n0.548431 0.153835 0.846992 O\n0.061591 0.279783 0.069268 O\n0.710515 0.992323 0.430732 O\n0.997974 0.668563 0.410998 O\n0.289486 0.007678 0.569269 O\n0.966618 0.962466 0.150985 O\n0.311483 0.815633 0.349016 O\n0.033383 0.037535 0.849016 O\n0.688518 0.184369 0.650985 O\n0.451570 0.846166 0.153009 O\n0.757565 0.586975 0.089003 O\n",
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{
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"created_at": "2022-09-04T14:35:46.315073Z",
"updated_at": "2022-09-04T14:35:46.315102Z",
"structure_string": "Nb8 Fe4 O24\n1.0\n5.066962 -0.000000 0.000000\n-0.000000 5.627102 0.000000\n0.000000 0.000000 13.751896\nNb Fe O\n8 4 24\ndirect\n0.721965 0.183988 0.844457 Nb\n0.278034 0.816012 0.155543 Nb\n0.778034 0.683988 0.344457 Nb\n0.221965 0.816012 0.844457 Nb\n0.221965 0.316012 0.655543 Nb\n0.278034 0.316012 0.344457 Nb\n0.778034 0.183988 0.155543 Nb\n0.721965 0.683988 0.655543 Nb\n0.750000 0.136921 0.500000 Fe\n0.250000 0.863078 0.500000 Fe\n0.750000 0.636921 0.000000 Fe\n0.250000 0.363079 0.000000 Fe\n0.391566 0.118011 0.913037 O\n0.075993 0.615514 0.072103 O\n0.575993 0.884485 0.427897 O\n0.424006 0.615514 0.927897 O\n0.924006 0.884485 0.572103 O\n0.891565 0.381988 0.586963 O\n0.946014 0.387502 0.256956 O\n0.108434 0.618011 0.413037 O\n0.446015 0.112498 0.243044 O\n0.553985 0.387502 0.743045 O\n0.053985 0.112498 0.756956 O\n0.053985 0.612498 0.743045 O\n0.553985 0.887502 0.756956 O\n0.446015 0.612498 0.256956 O\n0.108434 0.118011 0.086963 O\n0.946014 0.887502 0.243044 O\n0.424006 0.115514 0.572103 O\n0.575993 0.384486 0.072103 O\n0.075993 0.115514 0.427897 O\n0.891565 0.881988 0.913037 O\n0.391566 0.618011 0.586963 O\n0.608434 0.881988 0.086963 O\n0.924006 0.384486 0.927897 O\n0.608434 0.381988 0.413037 O\n",
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{
"id": "jvasp-103797",
"created_at": "2022-09-04T14:36:43.714585Z",
"updated_at": "2022-09-04T14:36:43.714605Z",
"structure_string": "H16 C18 O2\n1.0\n5.528287 -0.077377 -1.723620\n-1.243341 7.011789 -2.210805\n0.057396 0.023365 8.333612\nH C O\n16 18 2\ndirect\n0.723525 0.563217 0.075177 H\n0.446347 0.859056 0.825319 H\n0.946345 0.859055 0.325319 H\n0.834982 0.556384 0.382060 H\n0.054595 0.858109 0.629539 H\n0.554594 0.858110 0.129539 H\n0.218905 0.405886 0.211403 H\n0.718905 0.405886 0.711404 H\n0.334982 0.556385 0.882060 H\n0.087862 0.098255 0.907567 H\n0.489302 0.302792 0.227673 H\n-0.010699 0.302792 0.727673 H\n0.387564 0.047025 0.523561 H\n0.887565 0.047023 0.023560 H\n0.223525 0.563218 0.575178 H\n0.587860 0.098254 0.407568 H\n0.266357 0.878546 0.245309 C\n0.531506 0.793199 0.727666 C\n0.031505 0.793200 0.227667 C\n0.405755 0.627616 0.586383 C\n0.905753 0.627615 0.086382 C\n0.255474 0.220323 0.365610 C\n0.755474 0.220319 0.865611 C\n0.766358 0.878546 0.745309 C\n0.511865 0.541458 0.458818 C\n0.395288 0.062506 0.397932 C\n0.872171 0.793117 0.618060 C\n0.372170 0.793118 0.118061 C\n0.747859 0.624478 0.477750 C\n0.247858 0.624477 0.977750 C\n0.368599 0.364390 0.300946 C\n0.868602 0.364392 0.800947 C\n0.895289 0.062508 0.897933 C\n0.011865 0.541459 0.958818 C\n0.556643 0.229407 0.890489 O\n0.056641 0.229407 0.390489 O\n",
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{
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"created_at": "2022-09-04T14:36:12.400497Z",
"updated_at": "2022-09-04T14:36:12.400512Z",
"structure_string": "Si12 O24\n1.0\n8.711579 0.000000 -3.080009\n-4.355790 7.544449 -3.080009\n-0.000000 -0.000000 9.240025\nSi O\n12 24\ndirect\n0.249243 0.624622 0.124622 Si\n0.624622 0.500000 0.375378 Si\n0.875378 0.500000 0.124622 Si\n0.875378 0.375378 0.750757 Si\n0.624622 0.124622 0.249243 Si\n0.124622 0.875379 0.500000 Si\n0.500000 0.124622 0.875379 Si\n0.500000 0.375378 0.624622 Si\n0.750757 0.875379 0.375378 Si\n0.375378 0.750757 0.875379 Si\n0.124622 0.249243 0.624622 Si\n0.375378 0.624622 0.500000 Si\n0.262337 0.631169 0.631169 O\n0.368831 0.631169 -0.000000 O\n0.500000 0.912451 0.087549 O\n0.631169 0.000000 0.368831 O\n0.000000 0.631169 0.368831 O\n0.912451 0.087549 0.500000 O\n0.368831 0.737663 0.368831 O\n0.500000 0.587549 0.412451 O\n0.824902 0.412451 0.912451 O\n0.737663 0.368831 0.368831 O\n0.631169 0.368831 -0.000000 O\n0.087549 0.500000 0.912451 O\n0.000000 0.368831 0.631169 O\n0.412451 0.500000 0.587549 O\n0.587549 0.175098 0.087549 O\n0.587549 0.412451 0.500000 O\n0.631169 0.631169 0.262337 O\n0.087549 0.587549 0.175098 O\n0.368831 0.368831 0.737663 O\n0.631169 0.262337 0.631169 O\n0.912451 0.824902 0.412451 O\n0.412451 0.912451 0.824902 O\n0.175098 0.087549 0.587549 O\n0.368831 0.000000 0.631169 O\n",
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{
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"updated_at": "2022-09-04T14:35:59.565446Z",
"structure_string": "H24 O12\n1.0\n6.504055 0.000000 0.000000\n0.000000 6.504055 0.000000\n0.000000 0.000000 6.592478\nH O\n24 12\ndirect\n0.480729 0.165900 0.534918 H\n0.292303 0.356208 0.112865 H\n0.707696 0.643791 0.612865 H\n0.143792 0.792303 0.362865 H\n0.856208 0.207696 0.862865 H\n0.356208 0.292303 0.887135 H\n0.643791 0.707696 0.387135 H\n0.792303 0.143792 0.637135 H\n0.116192 0.146962 0.298506 H\n0.883807 0.853038 0.798506 H\n0.353038 0.616192 0.548506 H\n0.646961 0.383807 0.048505 H\n0.207696 0.856208 0.137135 H\n0.853038 0.883807 0.201495 H\n0.383807 0.646961 0.951495 H\n0.616192 0.353038 0.451495 H\n0.980729 0.334099 0.215083 H\n0.019271 0.665900 0.715083 H\n0.165900 0.480729 0.465083 H\n0.834099 0.519270 0.965083 H\n0.334099 0.980729 0.784918 H\n0.665900 0.019271 0.284918 H\n0.519270 0.834099 0.034917 H\n0.146962 0.116192 0.701495 H\n0.199546 0.609669 0.541058 O\n0.800454 0.390330 0.041058 O\n0.300454 0.109669 0.708942 O\n0.699545 0.890330 0.208942 O\n0.390330 0.800454 0.958942 O\n0.889892 0.110107 0.750000 O\n0.389892 0.389892 0.000000 O\n0.610107 0.610107 0.500000 O\n0.110107 0.889892 0.250000 O\n0.890330 0.699545 0.791058 O\n0.609669 0.199546 0.458942 O\n0.109669 0.300454 0.291058 O\n",
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},
{
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"created_at": "2022-09-04T14:38:36.080647Z",
"updated_at": "2022-09-04T14:38:36.080675Z",
"structure_string": "Ba5 Mg18 Si13\n1.0\n7.286059 -12.619825 0.000000\n7.286059 12.619825 0.000000\n0.000000 0.000000 4.502571\nBa Mg Si\n5 18 13\ndirect\n0.180048 0.000000 0.500000 Ba\n0.819952 0.819952 0.500000 Ba\n0.000000 0.180048 0.500000 Ba\n0.666667 0.333333 0.000000 Ba\n0.333333 0.666667 0.000000 Ba\n0.195325 0.373020 0.000000 Mg\n0.557823 0.000000 0.000000 Mg\n0.442177 0.442177 0.000000 Mg\n0.000000 0.557823 0.000000 Mg\n0.122209 0.483514 0.500000 Mg\n0.516487 0.638695 0.500000 Mg\n0.638695 0.516487 0.500000 Mg\n0.877792 0.361305 0.500000 Mg\n0.361305 0.877792 0.500000 Mg\n0.721902 0.000000 0.500000 Mg\n0.278098 0.278098 0.500000 Mg\n0.000000 0.721902 0.500000 Mg\n0.177694 0.804675 0.000000 Mg\n0.804675 0.177694 0.000000 Mg\n0.822306 0.626980 0.000000 Mg\n0.373020 0.195325 0.000000 Mg\n0.626980 0.822306 0.000000 Mg\n0.483514 0.122209 0.500000 Mg\n0.629285 0.629285 0.000000 Si\n0.000000 0.370715 0.000000 Si\n0.832692 0.000000 0.000000 Si\n0.167307 0.167307 0.000000 Si\n0.000000 0.832692 0.000000 Si\n0.833271 0.524866 0.500000 Si\n0.524866 0.833271 0.500000 Si\n0.308405 0.475134 0.500000 Si\n0.475134 0.308405 0.500000 Si\n0.166730 0.691595 0.500000 Si\n0.370715 0.000000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.691595 0.166730 0.500000 Si\n",
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{
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