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{
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"structure_string": "Mg14 Si8 H4 O32\n1.0\n5.804197 0.000000 0.000000\n0.000000 11.567013 -0.000000\n0.000000 -0.000000 8.258623\nMg Si H O\n14 8 4 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.253922 0.114811 0.251541 Mg\n0.253922 0.885189 0.748459 Mg\n0.253922 0.385189 0.251541 Mg\n0.253922 0.614811 0.748459 Mg\n0.746078 0.885189 0.748459 Mg\n0.746078 0.614811 0.748459 Mg\n0.746078 0.114811 0.251541 Mg\n0.000000 0.750000 0.045017 Mg\n0.000000 0.250000 0.954983 Mg\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.746078 0.385189 0.251541 Mg\n0.500000 0.123653 0.887577 Si\n0.500000 0.376347 0.887577 Si\n0.500000 0.876347 0.112423 Si\n0.500000 0.623653 0.112423 Si\n0.000000 0.118926 0.608968 Si\n0.000000 0.618926 0.391031 Si\n0.000000 0.381074 0.608968 Si\n0.000000 0.881073 0.391031 Si\n0.000000 0.250000 0.358834 H\n0.000000 0.750000 0.641166 H\n0.500000 0.750000 0.597396 H\n0.500000 0.250000 0.402604 H\n0.740978 0.624582 0.999132 O\n0.740978 0.124582 0.000867 O\n0.740978 0.875418 0.999132 O\n0.259022 0.624582 0.999132 O\n0.259022 0.375418 0.000867 O\n0.259022 0.875418 0.999132 O\n0.230184 0.617539 0.505010 O\n0.230184 0.882460 0.505010 O\n0.230184 0.117540 0.494990 O\n0.230184 0.382460 0.494990 O\n0.769817 0.117540 0.494990 O\n0.769817 0.882460 0.505010 O\n0.740978 0.375418 0.000867 O\n0.259022 0.124582 0.000867 O\n0.500000 0.512188 0.238927 O\n0.500000 0.750000 0.717778 O\n0.500000 0.987811 0.238927 O\n0.500000 0.012189 0.761072 O\n0.000000 0.014400 0.751131 O\n0.000000 0.985599 0.248869 O\n0.000000 0.485599 0.751131 O\n0.000000 0.514400 0.248869 O\n0.500000 0.250000 0.793870 O\n0.500000 0.750000 0.206129 O\n0.000000 0.750000 0.289802 O\n0.000000 0.250000 0.710198 O\n0.500000 0.250000 0.282223 O\n0.769817 0.382460 0.494990 O\n0.000000 0.750000 0.761111 O\n0.000000 0.250000 0.238888 O\n0.500000 0.487811 0.761072 O\n0.769817 0.617539 0.505010 O\n",
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{
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"structure_string": "Tl4 Zn2 I8\n1.0\n0.000000 7.809705 -0.064539\n8.062050 0.000000 0.000000\n0.000000 -2.829790 -8.781700\nTl Zn I\n4 2 8\ndirect\n0.250871 0.027492 0.563785 Tl\n0.749128 0.527492 0.436216 Tl\n0.236150 0.017090 0.058406 Tl\n0.763849 0.517090 0.941594 Tl\n0.784341 0.972001 0.198610 Zn\n0.215658 0.472001 0.801390 Zn\n0.034406 0.736319 0.266573 I\n0.965593 0.236319 0.733427 I\n0.975596 0.246611 0.250131 I\n0.024403 0.746611 0.749869 I\n0.410572 0.447314 0.612500 I\n0.589427 0.947314 0.387500 I\n0.405274 0.440505 0.089063 I\n0.594725 0.940505 0.910937 I\n",
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{
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"structure_string": "Si6 Bi8 O24\n1.0\n8.450712 -0.000000 -2.987778\n-4.225356 7.318531 -2.987778\n0.000000 0.000000 8.963334\nSi Bi O\n6 8 24\ndirect\n0.250000 0.625000 0.375000 Si\n0.625000 0.375000 0.250000 Si\n0.375000 0.250000 0.625000 Si\n0.749999 0.875000 0.124999 Si\n0.125000 0.750000 0.874999 Si\n0.875000 0.125000 0.749999 Si\n0.161348 0.161348 0.161348 Bi\n0.500000 -0.000000 0.338651 Bi\n0.500000 -0.000000 0.838651 Bi\n0.838651 0.500000 -0.000000 Bi\n-0.000000 0.838652 0.499999 Bi\n-0.000000 0.338652 0.500000 Bi\n0.338651 0.500000 -0.000000 Bi\n0.661348 0.661348 0.661348 Bi\n0.429764 0.771087 0.580718 O\n0.309631 0.658678 0.228912 O\n0.658678 0.228913 0.309631 O\n0.809631 0.728913 0.158678 O\n0.349046 0.190369 0.419281 O\n0.150954 0.570236 0.841321 O\n0.341322 0.070236 0.650954 O\n0.070235 0.650954 0.341321 O\n0.580718 0.429764 0.771087 O\n0.728913 0.158678 0.809631 O\n0.228913 0.309631 0.658678 O\n0.271087 0.929764 0.080718 O\n0.650954 0.341322 0.070235 O\n0.841322 0.150954 0.570235 O\n0.158678 0.809631 0.728912 O\n0.771087 0.580718 0.429764 O\n0.919281 0.690369 0.849045 O\n0.190368 0.419282 0.349046 O\n0.690368 0.849046 0.919281 O\n0.929764 0.080718 0.271087 O\n0.849045 0.919281 0.690368 O\n0.419281 0.349046 0.190368 O\n0.080718 0.271087 0.929764 O\n0.570235 0.841322 0.150954 O\n",
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{
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"structure_string": "Y6 Cu2 Si2 Se14\n1.0\n5.162776 -8.942191 -0.000000\n5.162776 8.942191 0.000000\n0.000000 0.000000 6.003361\nY Cu Si Se\n6 2 2 14\ndirect\n0.643716 0.867313 0.923412 Y\n0.132688 0.776402 0.923412 Y\n0.776402 0.643716 0.423413 Y\n0.356285 0.132688 0.423413 Y\n0.223598 0.356285 0.923412 Y\n0.867313 0.223599 0.423413 Y\n0.000000 0.000000 0.968324 Cu\n0.000000 0.000000 0.468324 Cu\n0.666667 0.333333 0.835166 Si\n0.333333 0.666667 0.335166 Si\n0.162846 0.262441 0.452096 Se\n0.837154 0.737560 0.952096 Se\n0.666667 0.333333 0.213268 Se\n0.521047 0.421591 0.679541 Se\n0.333333 0.666667 0.713268 Se\n0.900544 0.478954 0.679541 Se\n0.099457 0.521047 0.179541 Se\n0.421591 0.900544 0.179541 Se\n0.737560 0.900406 0.452096 Se\n0.900405 0.162847 0.952096 Se\n0.478954 0.578410 0.179541 Se\n0.262441 0.099595 0.952096 Se\n0.099595 0.837154 0.452096 Se\n0.578410 0.099457 0.679541 Se\n",
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{
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"structure_string": "Nb8 Cr2 Se16\n1.0\n3.472442 -6.014445 0.000000\n3.472442 6.014445 0.000000\n0.000000 -0.000000 13.270316\nNb Cr Se\n8 2 16\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 -0.000000 0.500000 Nb\n-0.000000 0.500000 0.000000 Nb\n0.500000 0.500000 0.000000 Nb\n0.500000 0.500000 0.500000 Nb\n-0.000000 0.500000 0.500000 Nb\n0.500000 -0.000000 0.000000 Nb\n0.000000 0.000000 0.500000 Nb\n0.000000 0.000000 0.250000 Cr\n0.000000 0.000000 0.750000 Cr\n0.668885 0.834443 0.370023 Se\n0.834443 0.165557 0.870023 Se\n0.834443 0.668885 0.870023 Se\n0.333333 0.666667 0.625509 Se\n0.333333 0.666667 0.874492 Se\n0.666667 0.333333 0.374492 Se\n0.165557 0.331114 0.129978 Se\n0.834443 0.668885 0.629978 Se\n0.165557 0.331114 0.370023 Se\n0.165557 0.834443 0.129978 Se\n0.834443 0.165557 0.629978 Se\n0.165557 0.834443 0.370023 Se\n0.331114 0.165557 0.629978 Se\n0.668885 0.834443 0.129978 Se\n0.666667 0.333333 0.125508 Se\n0.331114 0.165557 0.870023 Se\n",
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{
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"created_at": "2022-09-04T14:36:04.528356Z",
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"structure_string": "Mg4 H24 Br8 N8\n1.0\n5.904854 0.000000 0.000000\n0.000000 11.815269 0.000000\n-0.000000 0.000000 7.944611\nMg H Br N\n4 24 8 8\ndirect\n0.497778 0.499913 0.250000 Mg\n0.997778 0.000087 0.250000 Mg\n0.502221 0.500087 0.750000 Mg\n0.002221 -0.000087 0.750000 Mg\n0.759747 0.816541 0.147682 H\n0.259747 0.683459 0.352318 H\n0.240252 0.183459 0.647682 H\n0.740252 0.316541 0.852318 H\n0.240252 0.183459 0.852318 H\n0.740252 0.316541 0.647682 H\n0.259747 0.683459 0.147682 H\n0.417116 0.101661 0.750000 H\n0.917115 0.398339 0.750000 H\n0.582884 0.898339 0.250000 H\n0.082884 0.601661 0.250000 H\n0.759747 0.816541 0.352318 H\n0.868646 0.384232 0.352422 H\n0.631353 0.884232 0.647578 H\n0.131354 0.615768 0.852422 H\n0.631353 0.884232 0.852422 H\n0.131354 0.615768 0.647578 H\n0.368646 0.115768 0.352422 H\n0.868646 0.384232 0.147578 H\n0.792160 0.794331 0.750000 H\n0.292160 0.705669 0.750000 H\n0.207839 0.205669 0.250000 H\n0.707839 0.294331 0.250000 H\n0.368646 0.115768 0.147578 H\n0.275358 0.385415 0.001853 Br\n0.775357 0.114585 0.498146 Br\n0.724642 0.614585 0.501853 Br\n0.224642 0.885415 0.998146 Br\n0.275358 0.385415 0.498146 Br\n0.224642 0.885415 0.501853 Br\n0.775357 0.114585 0.001853 Br\n0.724642 0.614585 0.998146 Br\n0.753300 0.369409 0.750000 N\n0.763293 0.376591 0.250000 N\n0.263293 0.123409 0.250000 N\n0.236706 0.623409 0.750000 N\n0.736706 0.876591 0.750000 N\n0.246699 0.630591 0.250000 N\n0.746699 0.869409 0.250000 N\n0.253300 0.130591 0.750000 N\n",
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{
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"created_at": "2022-09-04T14:37:45.987809Z",
"updated_at": "2022-09-04T14:37:45.987835Z",
"structure_string": "K10 Au2 I4 O4\n1.0\n5.493246 0.000000 0.000000\n0.000000 7.191259 -0.000000\n0.000000 0.000000 14.029784\nK Au I O\n10 2 4 4\ndirect\n0.500000 0.330247 0.601457 K\n0.000000 0.097263 0.761042 K\n0.000000 0.402737 0.261042 K\n0.000000 0.902737 0.238958 K\n0.500000 0.830247 0.898543 K\n0.000000 0.000000 0.500000 K\n0.000000 0.500000 0.000000 K\n0.000000 0.597264 0.738958 K\n0.500000 0.169753 0.101457 K\n0.500000 0.669753 0.398543 K\n0.000000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.500000 0.652706 0.145157 I\n0.500000 0.347294 0.854842 I\n0.500000 0.152706 0.354843 I\n0.500000 0.847295 0.645157 I\n0.000000 0.183860 0.110929 O\n0.000000 0.683860 0.389071 O\n0.000000 0.816140 0.889070 O\n0.000000 0.316140 0.610929 O\n",
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{
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"structure_string": "K2 Zr1 Cd1 H16 C8 O24\n1.0\n-5.643267 5.643267 4.348085\n5.643267 -5.643267 4.348085\n5.643267 5.643267 -4.348085\nK Zr Cd H C O\n2 1 1 16 8 24\ndirect\n0.499999 0.499999 0.000000 K\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 Zr\n0.000000 0.000000 0.000000 Cd\n0.995852 0.150197 0.667379 H\n0.482819 0.328473 0.332621 H\n0.849802 0.517181 0.845654 H\n0.671527 0.004148 0.154346 H\n0.139266 0.220657 0.580775 H\n0.639882 0.558491 0.419226 H\n0.779343 0.360118 0.918609 H\n0.441508 0.860734 0.081391 H\n0.811926 0.892918 0.422840 H\n0.470079 0.389087 0.577161 H\n0.107082 0.529922 0.919008 H\n0.610913 0.188073 0.080992 H\n0.583153 0.750919 0.352043 H\n0.398877 0.231111 0.647958 H\n0.249081 0.601124 0.832234 H\n0.768889 0.416846 0.167766 H\n0.229982 0.953889 0.276021 C\n0.677867 0.953961 0.723979 C\n0.046039 0.770018 0.723907 C\n0.046111 0.322132 0.276094 C\n0.558742 0.795921 0.777952 C\n0.219209 0.441258 0.237179 C\n0.204079 0.982031 0.762821 C\n0.017969 0.780790 0.222049 C\n0.851891 0.411851 0.852815 O\n0.559037 -0.000924 0.147186 O\n0.694459 0.754086 0.358935 O\n0.395152 0.335525 0.641066 O\n0.245914 0.604848 0.940373 O\n0.664475 0.305540 0.059627 O\n0.352872 0.969351 0.394249 O\n0.575103 0.958624 0.605752 O\n0.030649 0.424897 0.383522 O\n0.041376 0.647127 0.616479 O\n0.268137 0.064562 0.205111 O\n0.935438 0.140548 0.203575 O\n0.936974 0.731863 0.796426 O\n0.886056 0.748662 0.106375 O\n0.642287 0.779682 0.893625 O\n0.251337 0.357713 0.137395 O\n0.220319 0.113943 0.862606 O\n-0.002783 0.678977 0.306553 O\n0.372424 0.690665 0.693448 O\n0.321023 0.627576 0.318241 O\n0.309336 0.002783 0.681760 O\n0.588148 0.440962 0.440039 O\n0.859452 0.063026 0.794890 O\n0.000924 0.148110 0.559961 O\n",
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{
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"structure_string": "Li8 Mg4 Mn12 O32\n1.0\n8.211596 -0.000000 0.000000\n0.000000 8.211596 0.000000\n-0.000000 -0.000000 8.211596\nLi Mg Mn O\n8 4 12 32\ndirect\n0.497337 0.997337 0.502664 Li\n0.247337 0.247337 0.247337 Li\n0.252664 0.752664 0.747337 Li\n0.747337 0.252664 0.752664 Li\n0.997337 0.502664 0.497337 Li\n0.752664 0.747337 0.252664 Li\n0.502664 0.497337 0.997337 Li\n0.002663 0.002663 0.002663 Li\n0.625000 0.625000 0.625000 Mg\n0.875000 0.375000 0.125000 Mg\n0.375000 0.125000 0.875000 Mg\n0.125000 0.875000 0.375000 Mg\n0.120188 0.129812 0.625000 Mn\n0.870189 0.125000 0.379812 Mn\n0.370188 0.375000 0.620189 Mn\n0.129812 0.625000 0.120188 Mn\n0.875000 0.879812 0.629812 Mn\n0.625000 0.120188 0.129812 Mn\n0.379812 0.870189 0.125000 Mn\n0.620189 0.370188 0.375000 Mn\n0.629812 0.875000 0.879812 Mn\n0.375000 0.620189 0.370188 Mn\n0.125000 0.379812 0.870189 Mn\n0.879812 0.629812 0.875000 Mn\n0.616175 0.883826 0.116175 O\n0.357918 0.376065 0.849372 O\n0.876066 0.650629 0.642083 O\n0.623935 0.349372 0.142083 O\n0.633825 0.133825 0.366175 O\n0.849372 0.357918 0.376065 O\n0.373935 0.607918 0.599372 O\n0.116175 0.616175 0.883826 O\n0.107918 0.900629 0.626065 O\n0.349372 0.142083 0.623935 O\n0.133825 0.366175 0.633825 O\n0.642083 0.876066 0.650629 O\n0.650629 0.642083 0.876066 O\n0.883826 0.116175 0.616175 O\n0.142083 0.623935 0.349372 O\n0.626065 0.107918 0.900629 O\n0.857918 0.123935 0.150628 O\n0.900629 0.626065 0.107918 O\n0.376065 0.849372 0.357918 O\n0.383825 0.383825 0.383825 O\n0.599372 0.373935 0.607918 O\n0.400629 0.873935 0.892083 O\n0.873935 0.892083 0.400629 O\n0.150628 0.857918 0.123935 O\n0.366175 0.633825 0.133825 O\n0.099372 0.126065 0.392083 O\n0.866175 0.866175 0.866175 O\n0.392083 0.099372 0.126065 O\n0.607918 0.599372 0.373935 O\n0.126065 0.392083 0.099372 O\n0.892083 0.400629 0.873935 O\n0.123935 0.150628 0.857918 O\n",
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}