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{
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{
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{
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"structure_string": "Fe4 H24 S4 O24\n1.0\n6.790771 0.000000 -1.705466\n0.000000 7.735725 0.000000\n0.080695 0.000000 8.928452\nFe H S O\n4 24 4 24\ndirect\n0.837618 0.363130 0.518097 Fe\n0.162381 0.863131 0.981903 Fe\n0.162381 0.636870 0.481903 Fe\n0.837619 0.136870 0.018097 Fe\n0.232840 0.511162 0.984057 H\n0.232840 0.988839 0.484057 H\n0.767159 0.488839 0.015942 H\n0.855038 0.087770 0.374468 H\n0.144961 0.587770 0.125531 H\n0.144961 0.912231 0.625531 H\n0.855038 0.412230 0.874468 H\n0.376668 0.814657 0.252696 H\n0.623331 0.314656 0.247303 H\n0.623331 0.185344 0.747303 H\n0.376668 0.685344 0.752696 H\n0.767159 0.011162 0.515942 H\n0.686138 0.512980 0.244681 H\n0.686138 0.987021 0.744680 H\n0.313861 0.487021 0.755319 H\n0.517856 0.061829 0.131227 H\n0.482144 0.561829 0.368773 H\n0.482143 0.938171 0.868773 H\n0.517856 0.438171 0.631226 H\n0.483957 0.226256 0.016030 H\n0.516043 0.726257 0.483970 H\n0.516043 0.773744 0.983969 H\n0.483956 0.273744 0.516030 H\n0.313861 0.012980 0.255319 H\n0.849189 0.795617 0.195294 S\n0.150811 0.295617 0.304706 S\n0.150810 0.204383 0.804706 S\n0.849189 0.704384 0.695293 S\n0.784518 0.384168 0.955361 O\n0.345575 0.920124 0.185921 O\n0.654425 0.420124 0.314078 O\n0.215481 0.884169 0.544638 O\n0.654424 0.079876 0.814078 O\n0.345575 0.579876 0.685921 O\n0.584717 0.164040 0.098009 O\n0.415282 0.664040 0.401990 O\n0.415282 0.835961 0.901990 O\n0.584717 0.335961 0.598009 O\n0.309846 0.165675 0.386687 O\n0.908383 0.885340 0.053297 O\n0.690153 0.834325 0.613312 O\n0.309846 0.334325 0.886687 O\n0.975805 0.179266 0.235259 O\n0.024195 0.679267 0.264740 O\n0.024194 0.820734 0.764740 O\n0.975805 0.320734 0.735259 O\n0.091617 0.385340 0.446702 O\n0.091617 0.114660 0.946702 O\n0.908382 0.614661 0.553297 O\n0.215482 0.615832 0.044638 O\n0.690153 0.665676 0.113312 O\n0.784518 0.115832 0.455362 O\n",
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{
"id": "jvasp-54765",
"created_at": "2022-09-04T14:36:54.277984Z",
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"structure_string": "Mn2 H2 O4\n1.0\n2.976083 0.000000 0.000000\n0.000000 4.439740 0.000000\n0.000000 0.000000 5.082307\nMn H O\n2 2 4\ndirect\n0.499999 0.226977 0.511257 Mn\n0.000000 0.773023 0.011257 Mn\n0.499999 0.311099 0.029971 H\n0.000000 0.688901 0.529971 H\n0.499999 0.498111 0.148554 O\n0.499999 0.004592 0.864099 O\n0.000000 0.995408 0.364099 O\n0.000000 0.501889 0.648554 O\n",
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{
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"created_at": "2022-09-04T14:37:06.509471Z",
"updated_at": "2022-09-04T14:37:06.509498Z",
"structure_string": "Er2 H6 O6\n1.0\n3.116136 -5.397306 0.000000\n3.116136 5.397306 0.000000\n-0.000000 0.000000 3.493412\nEr H O\n2 6 6\ndirect\n0.666668 0.333333 0.750000 Er\n0.333333 0.666668 0.250000 Er\n0.725489 0.866672 0.750000 H\n0.858818 0.725489 0.250000 H\n0.141184 0.274513 0.750000 H\n0.274513 0.133329 0.250000 H\n0.866672 0.141184 0.250000 H\n0.133329 0.858818 0.750000 H\n0.915527 0.605106 0.250000 O\n0.605106 0.689580 0.750000 O\n0.084474 0.394895 0.750000 O\n0.394896 0.310421 0.250000 O\n0.689580 0.084474 0.250000 O\n0.310421 0.915527 0.750000 O\n",
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{
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"created_at": "2022-09-04T14:38:53.796963Z",
"updated_at": "2022-09-04T14:38:53.796987Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n4.949621 0.000159 0.672496\n4.145593 2.704220 0.672496\n0.077156 0.022942 15.058077\nLi Mn Co O\n7 2 3 12\ndirect\n0.261700 0.261700 0.080899 Li\n0.745235 0.745235 0.256529 Li\n0.221366 0.221365 0.436856 Li\n0.747396 0.747395 0.579910 Li\n0.248134 0.248133 0.743903 Li\n0.757308 0.757307 0.908774 Li\n0.488831 0.488830 0.509618 Li\n0.009187 0.009185 0.995869 Mn\n0.513324 0.513325 0.164157 Mn\n-0.003089 -0.003091 0.666359 Co\n0.500962 0.500961 0.832381 Co\n0.982035 0.982035 0.351191 Co\n0.114603 0.114601 0.876212 O\n0.393367 0.393365 0.955059 O\n0.900672 0.900673 0.114325 O\n0.405620 0.405620 0.275076 O\n0.861350 0.861350 0.454444 O\n0.383353 0.383352 0.634505 O\n0.892259 0.892258 0.791825 O\n0.129599 0.129598 0.192952 O\n0.610322 0.610323 0.370286 O\n0.109421 0.109420 0.557767 O\n0.604327 0.604326 0.715502 O\n0.622728 0.622728 0.035608 O\n",
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{
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"structure_string": "Li4 Co3 Cu1 O8\n1.0\n4.956264 -0.015694 2.974455\n1.676305 4.664204 2.974455\n-0.022392 -0.015694 5.780263\nLi Co Cu O\n4 3 1 8\ndirect\n0.000000 0.000000 0.499999 Li\n0.000001 0.500000 -0.000001 Li\n0.499999 0.000000 -0.000000 Li\n0.500000 0.500000 0.499999 Li\n0.000001 0.500000 0.499999 Co\n0.500000 0.000001 0.499999 Co\n0.500000 0.500000 -0.000001 Co\n0.000000 0.000000 0.000000 Cu\n0.753254 0.753254 0.267194 O\n0.753253 0.267196 0.753252 O\n0.267196 0.753254 0.753252 O\n0.258331 0.258331 0.258330 O\n0.741669 0.741670 0.741667 O\n0.732804 0.246747 0.246745 O\n0.246747 0.732804 0.246745 O\n0.246746 0.246747 0.732803 O\n",
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{
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"structure_string": "Li2 Fe1 Ni1 O4\n1.0\n0.000000 5.034149 0.115052\n2.802061 0.000000 0.000000\n0.000000 -1.795990 -4.797132\nLi Fe Ni O\n2 1 1 4\ndirect\n0.500000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n-0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Ni\n0.790851 0.500000 0.747281 O\n0.209150 0.500000 0.252719 O\n0.238100 0.000000 0.729019 O\n0.761901 0.000000 0.270981 O\n",
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}