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{
"id": "jvasp-68297",
"created_at": "2022-09-04T14:35:54.514767Z",
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"structure_string": "Be1 Co1 P2\n1.0\n-1.719585 1.719585 3.926742\n1.719585 -1.719585 3.926742\n1.719585 1.719585 -3.926742\nBe Co P\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Be\n0.750001 0.250000 0.500001 Co\n0.000000 0.000000 0.000000 P\n0.250000 0.750001 0.500001 P\n",
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{
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"structure_string": "Li4 Nb1 Fe3 O8\n1.0\n5.004955 0.032660 0.102705\n0.058586 5.422264 0.066603\n0.151915 0.155207 6.602663\nLi Nb Fe O\n4 1 3 8\ndirect\n-0.008695 0.077670 0.384163 Li\n0.514187 0.434413 0.876227 Li\n-0.010492 0.580002 0.125153 Li\n0.518080 0.900293 0.625104 Li\n0.489003 0.929692 0.126584 Nb\n0.030068 0.117433 0.813352 Fe\n0.460401 0.428883 0.425022 Fe\n0.042199 0.521125 0.626088 Fe\n0.627198 0.077991 0.878909 O\n0.597869 0.085955 0.363108 O\n0.123581 0.436625 0.891430 O\n0.099678 0.422726 0.362062 O\n0.655432 0.564351 0.622468 O\n0.595546 0.595309 0.140590 O\n0.125917 0.890565 0.621861 O\n0.113649 0.936965 0.117874 O\n",
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{
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"created_at": "2022-09-04T14:37:19.429499Z",
"updated_at": "2022-09-04T14:37:19.429525Z",
"structure_string": "Ca2 Re2 H8 Cl2 O12\n1.0\n3.516902 7.117475 -0.000000\n-3.516902 7.117475 -0.000000\n0.000000 -0.000000 6.686298\nCa Re H Cl O\n2 2 8 2 12\ndirect\n0.412099 0.412099 0.250000 Ca\n0.587901 0.587901 0.750000 Ca\n0.242818 0.242818 0.750000 Re\n0.757183 0.757183 0.250000 Re\n0.839427 0.251395 0.066386 H\n0.160576 0.748605 0.566386 H\n0.748605 0.160576 0.933615 H\n0.251395 0.839427 0.433614 H\n0.160576 0.748605 0.933615 H\n0.839427 0.251395 0.433614 H\n0.251395 0.839427 0.066386 H\n0.748605 0.160576 0.566386 H\n0.116890 0.116890 0.250000 Cl\n0.883111 0.883111 0.750000 Cl\n0.316479 0.316479 0.540371 O\n0.683522 0.683522 0.040371 O\n0.683522 0.683522 0.459630 O\n0.316479 0.316479 0.959630 O\n0.372191 0.969251 0.750000 O\n0.627810 0.030750 0.250000 O\n0.030750 0.627810 0.250000 O\n0.969251 0.372191 0.750000 O\n0.706062 0.293938 0.500000 O\n0.293938 0.706062 0.000000 O\n0.293938 0.706062 0.500000 O\n0.706062 0.293938 0.000000 O\n",
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{
"id": "jvasp-10476",
"created_at": "2022-09-04T14:37:07.226302Z",
"updated_at": "2022-09-04T14:37:07.226313Z",
"structure_string": "Ca6 V2 N6\n1.0\n5.054331 0.000000 -0.000000\n-0.000000 6.571233 -1.291680\n0.000000 -0.004402 6.696978\nCa V N\n6 2 6\ndirect\n0.750000 0.828972 0.598034 Ca\n0.250000 0.171028 0.401966 Ca\n0.250000 0.108621 0.891379 Ca\n0.750000 0.891379 0.108621 Ca\n0.250000 0.598034 0.828973 Ca\n0.750000 0.401966 0.171028 Ca\n0.250000 0.696763 0.303236 V\n0.750000 0.303237 0.696764 V\n0.750000 0.571073 0.818438 N\n0.250000 0.428927 0.181562 N\n0.750000 0.126775 0.873225 N\n0.250000 0.873225 0.126775 N\n0.750000 0.181562 0.428927 N\n0.250000 0.818438 0.571073 N\n",
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{
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"created_at": "2022-09-04T14:36:55.112111Z",
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"structure_string": "Sm2 P3 Pt4\n1.0\n4.084388 0.008137 -9.128157\n-0.178799 4.080481 -9.128157\n-0.007773 -0.008137 10.000271\nSm P Pt\n2 3 4\ndirect\n0.627657 0.627657 -0.000000 Sm\n0.372344 0.372344 -0.000000 Sm\n0.925502 0.925502 -0.000000 P\n0.074498 0.074498 -0.000000 P\n0.750001 0.250000 0.500000 P\n0.803649 0.803649 -0.000000 Pt\n0.196352 0.196352 -0.000000 Pt\n0.999176 0.499176 0.500000 Pt\n0.500825 0.000825 0.500000 Pt\n",
"nsites": 9,
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{
"id": "jvasp-47769",
"created_at": "2022-09-04T14:35:53.248835Z",
"updated_at": "2022-09-04T14:35:53.248863Z",
"structure_string": "Li4 Fe5 O10\n1.0\n4.913303 -0.021832 0.029132\n0.885713 4.908905 -0.017658\n2.433412 2.035554 6.829889\nLi Fe O\n4 5 10\ndirect\n0.226558 0.497139 0.565721 Li\n0.502477 0.013472 0.494018 Li\n0.602632 0.509636 0.785905 Li\n0.788551 0.500056 0.407798 Li\n0.111718 0.995628 0.307402 Fe\n-0.007027 0.508833 0.010357 Fe\n0.689114 -0.002164 0.106974 Fe\n0.301372 0.997604 0.897975 Fe\n0.898053 0.001197 0.692896 Fe\n0.651915 0.777820 0.940347 O\n0.776250 0.223911 0.241437 O\n0.551519 0.224828 0.667115 O\n0.452498 0.780219 0.336481 O\n0.040390 0.783206 0.146035 O\n0.344313 0.222385 0.052299 O\n0.123766 0.222159 0.460546 O\n0.874318 0.770633 0.543746 O\n0.233670 0.763978 0.759263 O\n0.948089 0.219670 0.858604 O\n",
"nsites": 19,
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"elements": [
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{
"id": "jvasp-112984",
"created_at": "2022-09-04T14:38:46.254055Z",
"updated_at": "2022-09-04T14:38:46.254091Z",
"structure_string": "Zr6 Al16 Pd7\n1.0\n7.608993 -0.000000 4.393054\n2.536331 7.173827 4.393054\n-0.000000 -0.000000 8.786108\nZr Al Pd\n6 16 7\ndirect\n0.685952 0.685953 0.314047 Zr\n0.314047 0.685953 0.314047 Zr\n0.685952 0.314048 0.314047 Zr\n0.314047 0.314048 0.685952 Zr\n0.685952 0.314048 0.685952 Zr\n0.314047 0.685953 0.685952 Zr\n0.334546 0.334546 0.334546 Al\n0.996361 0.334546 0.334546 Al\n0.334546 0.996362 0.334546 Al\n0.334546 0.334546 0.996361 Al\n0.665453 0.665454 0.665453 Al\n0.003639 0.665454 0.665454 Al\n0.665453 0.003639 0.665454 Al\n0.665453 0.665454 0.003638 Al\n0.639103 0.120299 0.120298 Al\n0.120298 0.639103 0.120298 Al\n0.120299 0.120299 0.639103 Al\n0.879701 0.879702 0.879701 Al\n0.360897 0.879702 0.879701 Al\n0.879701 0.360897 0.879701 Al\n0.879701 0.879702 0.360896 Al\n0.120299 0.120299 0.120299 Al\n-0.000000 0.500000 -0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n-0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 -0.000000 Pd\n0.500000 0.000000 -0.000000 Pd\n",
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{
"id": "jvasp-35749",
"created_at": "2022-09-04T14:37:29.024886Z",
"updated_at": "2022-09-04T14:37:29.024910Z",
"structure_string": "Al1 Co3\n1.0\n3.571960 0.000000 0.000000\n-0.000000 3.571960 -0.000000\n-0.000000 -0.000000 3.571960\nAl Co\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n",
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},
{
"id": "jvasp-18259",
"created_at": "2022-09-04T14:38:09.079327Z",
"updated_at": "2022-09-04T14:38:09.079352Z",
"structure_string": "U1 Ni2 P2\n1.0\n3.468204 0.000000 -1.324237\n-0.505623 3.431150 -1.324237\n0.210673 0.243993 5.755524\nU Ni P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.749999 0.250000 0.499999 Ni\n0.250000 0.750000 0.499999 Ni\n0.620023 0.620024 0.240046 P\n0.379976 0.379976 0.759952 P\n",
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{
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"created_at": "2022-09-04T14:35:58.276202Z",
"updated_at": "2022-09-04T14:35:58.276221Z",
"structure_string": "Ba7 Ir6 O19\n1.0\n5.808647 0.000000 0.000000\n-2.904323 7.385456 -1.244606\n0.000000 0.019467 11.121155\nBa Ir O\n7 6 19\ndirect\n0.801486 0.602971 0.408238 Ba\n0.198515 0.397030 0.591762 Ba\n0.572629 0.145257 0.162505 Ba\n0.427373 0.854744 0.837495 Ba\n0.854652 0.709302 0.053832 Ba\n0.145350 0.290700 0.946168 Ba\n0.500000 0.000000 0.500000 Ba\n0.021978 0.043956 0.323259 Ir\n0.343406 0.686811 0.217632 Ir\n0.656596 0.313190 0.782369 Ir\n0.181466 0.362932 0.265822 Ir\n0.818535 0.637069 0.734178 Ir\n0.978024 0.956045 0.676741 Ir\n0.991659 0.517802 0.837117 O\n0.473857 0.482199 0.162883 O\n0.359745 0.249021 0.368974 O\n0.000000 0.000000 0.500000 O\n0.889277 0.249021 0.368974 O\n0.526144 0.517802 0.837117 O\n0.008343 0.482199 0.162883 O\n0.176600 0.855042 0.293746 O\n0.321558 0.144959 0.706254 O\n0.823402 0.144959 0.706254 O\n0.678444 0.855042 0.293746 O\n0.394924 0.789847 0.062504 O\n0.605077 0.210154 0.937497 O\n0.054648 0.109297 0.148942 O\n0.945353 0.890704 0.851058 O\n0.702595 0.405189 0.612165 O\n0.297407 0.594812 0.387835 O\n0.640257 0.750980 0.631026 O\n0.110725 0.750980 0.631026 O\n",
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{
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"structure_string": "Si4 H4 O10\n1.0\n-2.966908 7.440828 2.497535\n2.966908 -7.440828 2.497535\n3.035813 7.472229 -2.497535\nSi H O\n4 4 10\ndirect\n0.573208 0.073589 0.690707 Si\n0.382882 0.882501 0.309292 Si\n0.858083 0.055885 0.007649 Si\n0.048236 0.850433 -0.007649 Si\n0.426302 0.550768 0.441571 H\n0.109196 -0.015272 0.558428 H\n0.754422 0.889108 0.678151 H\n0.210957 0.076271 0.321849 H\n0.246082 0.017088 0.435192 O\n0.581897 0.810890 0.564808 O\n0.853334 0.460931 0.887966 O\n0.572967 0.965368 0.112034 O\n0.589570 0.089569 0.500000 O\n0.285057 0.955168 0.815516 O\n0.845852 0.845852 0.000000 O\n0.872808 0.936763 0.738557 O\n0.139652 0.469541 0.184484 O\n0.198205 0.134249 0.261442 O\n",
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{
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"created_at": "2022-09-04T14:36:06.567106Z",
"updated_at": "2022-09-04T14:36:06.567135Z",
"structure_string": "Be1 Mo1 Pd1\n1.0\n1.373119 -2.378311 0.000000\n1.373119 2.378311 -0.000000\n0.000000 0.000000 6.204160\nBe Mo Pd\n1 1 1\ndirect\n0.000000 0.000000 0.987032 Be\n0.333333 0.666667 0.317730 Mo\n0.666667 0.333333 0.695238 Pd\n",
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}
]
}