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{
"id": "jvasp-20934",
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"structure_string": "Sm8 P8 S32\n1.0\n9.704437 0.000000 -4.756515\n-2.331350 9.420239 -4.756515\n0.013149 0.016800 12.304780\nSm P S\n8 8 32\ndirect\n0.125000 0.375000 0.250000 Sm\n0.875000 0.625000 0.750000 Sm\n0.625000 0.875000 0.250000 Sm\n0.375000 0.625000 0.750000 Sm\n0.625000 0.375000 0.250000 Sm\n0.125000 0.875000 0.250000 Sm\n0.875000 0.125000 0.750000 Sm\n0.375000 0.125000 0.750000 Sm\n0.287541 0.250000 0.500000 P\n0.787541 0.250000 0.500000 P\n0.750000 0.787541 -0.000000 P\n0.250000 0.712459 -0.000000 P\n0.712459 0.750000 0.500000 P\n0.212459 0.750000 0.500000 P\n0.250000 0.212459 -0.000000 P\n0.750000 0.287541 -0.000000 P\n0.907943 0.886068 0.994583 S\n0.165139 0.731226 0.824212 S\n0.092058 0.113932 0.005416 S\n0.391484 0.092058 0.505416 S\n0.113933 0.913359 0.505416 S\n0.108516 0.586641 0.494583 S\n0.407943 0.108516 0.994583 S\n0.907014 0.840926 0.675787 S\n0.386068 0.407942 0.494583 S\n0.913359 0.391484 0.005416 S\n0.586641 0.386068 0.994583 S\n0.768774 0.334861 0.675787 S\n0.840926 0.768774 0.175787 S\n0.334861 0.907014 0.175787 S\n0.608516 0.907943 0.494583 S\n0.886068 0.086641 0.494583 S\n0.413359 0.613933 0.005416 S\n0.592058 0.891484 0.005416 S\n0.891484 0.413359 0.505416 S\n0.613933 0.592058 0.505416 S\n0.340926 0.407014 0.175787 S\n0.086641 0.608516 0.994583 S\n0.268774 0.340926 0.675787 S\n0.665139 0.092986 0.824213 S\n0.159074 0.231226 0.824213 S\n0.231226 0.665139 0.324212 S\n0.092986 0.159074 0.324213 S\n0.659074 0.592987 0.824212 S\n0.731227 0.659074 0.324212 S\n0.592987 0.165139 0.324213 S\n0.407014 0.834861 0.675787 S\n0.834862 0.268774 0.175787 S\n",
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{
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"structure_string": "Al8 Cr4 Cl32\n1.0\n6.007857 0.000000 0.000000\n0.000000 12.655101 -0.000000\n0.000000 -0.000000 14.817147\nAl Cr Cl\n8 4 32\ndirect\n0.876251 0.091260 0.737865 Al\n0.618029 0.908699 0.010610 Al\n0.381971 0.408699 0.989390 Al\n0.876251 0.591259 0.762135 Al\n0.618029 0.408699 0.489390 Al\n0.123750 0.091260 0.237865 Al\n0.123750 0.591259 0.262135 Al\n0.381971 0.908699 0.510611 Al\n0.247782 0.499922 0.625865 Cr\n0.752219 -0.000078 0.374135 Cr\n0.247782 -0.000078 0.874135 Cr\n0.752219 0.499922 0.125865 Cr\n0.015419 0.430167 0.744282 Cl\n0.515428 0.831337 0.624343 Cl\n0.480875 0.845335 0.882588 Cl\n0.480875 0.345335 0.617413 Cl\n-0.006124 0.169174 0.123809 Cl\n0.014727 0.154515 0.865774 Cl\n0.484572 0.331337 0.375657 Cl\n0.984581 0.430167 0.244282 Cl\n0.985273 0.654515 0.134226 Cl\n0.519126 0.345335 0.117413 Cl\n0.006124 0.169174 0.623809 Cl\n0.984581 0.930167 0.255718 Cl\n0.520460 0.091385 0.740939 Cl\n0.519155 0.070020 0.492249 Cl\n0.515428 0.331337 0.875657 Cl\n0.479540 0.591385 0.259061 Cl\n0.484572 0.831337 0.124343 Cl\n0.026306 0.908977 0.508140 Cl\n0.480846 0.070020 0.992249 Cl\n0.015419 0.930167 0.755718 Cl\n0.973695 0.908977 0.008140 Cl\n0.006124 0.669174 0.876191 Cl\n0.014727 0.654515 0.634226 Cl\n0.519126 0.845335 0.382587 Cl\n0.026306 0.408977 -0.008140 Cl\n0.480846 0.570020 0.507751 Cl\n0.520460 0.591385 0.759062 Cl\n0.479540 0.091385 0.240939 Cl\n0.973695 0.408977 0.491861 Cl\n-0.006124 0.669174 0.376191 Cl\n0.519155 0.570020 0.007751 Cl\n0.985273 0.154515 0.365774 Cl\n",
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{
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"structure_string": "Ti4 Tl16 Se16\n1.0\n8.503971 0.000000 0.000000\n0.000000 8.374029 -2.029812\n0.000000 -0.041417 15.833034\nTi Tl Se\n4 16 16\ndirect\n0.388127 0.207825 0.877340 Ti\n0.611873 0.792175 0.122660 Ti\n0.111873 0.207825 0.377340 Ti\n0.888126 0.792175 0.622660 Ti\n-0.001980 0.968599 0.873941 Tl\n0.498020 0.031400 0.626058 Tl\n0.001980 0.031400 0.126059 Tl\n0.501979 0.968600 0.373941 Tl\n0.177354 0.598329 0.889408 Tl\n0.677354 0.401670 0.610592 Tl\n0.707904 0.390352 0.360361 Tl\n0.322646 0.598329 0.389408 Tl\n0.606171 0.807768 0.870852 Tl\n0.106171 0.192232 0.629148 Tl\n0.393829 0.192232 0.129148 Tl\n0.893829 0.807768 0.370852 Tl\n0.792096 0.390352 0.860360 Tl\n0.292096 0.609648 0.639639 Tl\n0.207904 0.609648 0.139639 Tl\n0.822646 0.401671 0.110592 Tl\n0.324960 0.950518 0.784791 Se\n0.824960 0.049481 0.715209 Se\n0.553469 0.605024 0.208863 Se\n0.053469 0.394976 0.291137 Se\n0.446531 0.394975 0.791137 Se\n0.946531 0.605024 0.708863 Se\n0.836895 0.703636 0.033278 Se\n0.385055 0.823495 0.036875 Se\n0.163105 0.296364 0.966722 Se\n0.663105 0.703636 0.533277 Se\n0.885055 0.176505 0.463125 Se\n0.614945 0.176505 0.963125 Se\n0.114945 0.823495 0.536875 Se\n0.175040 0.950518 0.284791 Se\n0.336895 0.296364 0.466722 Se\n0.675040 0.049482 0.215209 Se\n",
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{
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"created_at": "2022-09-04T14:35:52.992518Z",
"updated_at": "2022-09-04T14:35:52.992535Z",
"structure_string": "Nd14 S12 Cl18\n1.0\n6.690905 0.000000 0.000000\n0.000000 6.925199 -0.921156\n0.000000 -0.072538 24.406993\nNd S Cl\n14 12 18\ndirect\n0.287028 0.250000 -0.000000 Nd\n0.696062 0.378682 0.143395 Nd\n0.718626 0.507885 0.422895 Nd\n0.303938 0.878682 0.143395 Nd\n0.281375 0.007885 0.422895 Nd\n0.304129 0.137552 0.715234 Nd\n0.695872 0.637552 0.715234 Nd\n0.695872 0.862448 0.284766 Nd\n0.304129 0.362448 0.284766 Nd\n0.303938 0.621318 0.856605 Nd\n0.712973 0.750000 -0.000000 Nd\n0.281375 0.492114 0.577105 Nd\n0.696062 0.121318 0.856605 Nd\n0.718626 0.992114 0.577105 Nd\n0.444225 0.687784 0.360837 S\n0.556465 0.118775 0.217415 S\n0.555776 0.312216 0.639163 S\n0.443535 0.881225 0.782585 S\n0.444225 0.812216 0.639163 S\n0.461709 0.924650 0.928443 S\n0.461709 0.575349 0.071556 S\n0.538292 0.424650 0.928443 S\n0.443535 0.618775 0.217415 S\n0.538292 0.075349 0.071557 S\n0.556465 0.381225 0.782585 S\n0.555776 0.187784 0.360837 S\n0.066754 0.231484 0.189359 Cl\n0.043162 0.941932 0.059923 Cl\n0.082393 0.033090 0.320302 Cl\n0.885419 0.886106 0.443839 Cl\n0.556257 0.250000 0.500000 Cl\n0.082393 0.466910 0.679698 Cl\n0.114582 0.113894 0.556161 Cl\n0.956839 0.441932 0.059923 Cl\n0.043162 0.558068 0.940077 Cl\n0.443744 0.750000 0.500000 Cl\n0.917607 0.533090 0.320302 Cl\n0.917607 0.966910 0.679698 Cl\n0.114582 0.386106 0.443839 Cl\n0.933247 0.731484 0.189359 Cl\n0.066754 0.268516 0.810641 Cl\n0.956839 0.058068 0.940077 Cl\n0.885419 0.613894 0.556161 Cl\n0.933247 0.768516 0.810641 Cl\n",
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{
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"structure_string": "Y2 Cu1 Hg1\n1.0\n-9.858394 -0.000000 -5.691748\n-10.060113 -0.017016 6.041134\n-6.631481 9.680620 0.102567\nY Cu Hg\n2 1 1\ndirect\n0.761857 -0.000000 -0.000000 Y\n0.238143 -0.000000 -0.000000 Y\n0.000000 0.000000 0.000000 Cu\n0.500000 -0.000000 -0.000000 Hg\n",
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{
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"created_at": "2022-09-04T14:37:54.220511Z",
"updated_at": "2022-09-04T14:37:54.220534Z",
"structure_string": "Bi14 Te13 S8\n1.0\n10.073923 0.076939 6.717690\n3.634512 9.395754 6.717689\n0.111343 0.076941 12.107803\nBi Te S\n14 13 8\ndirect\n0.392555 0.392555 0.392555 Bi\n0.886125 0.186279 0.742352 Bi\n0.536857 0.680959 0.952930 Bi\n0.113874 0.813720 0.257648 Bi\n0.463142 0.319041 0.047071 Bi\n0.680959 0.952929 0.536858 Bi\n0.047070 0.463142 0.319041 Bi\n0.186279 0.742352 0.886126 Bi\n0.813720 0.257648 0.113875 Bi\n0.319041 0.047071 0.463142 Bi\n0.952929 0.536858 0.680959 Bi\n0.607445 0.607445 0.607445 Bi\n0.257648 0.113874 0.813721 Bi\n0.742352 0.886125 0.186280 Bi\n0.485578 0.790129 0.367325 Te\n0.066666 0.358607 0.929439 Te\n0.632675 0.514421 0.209870 Te\n0.358607 0.929439 0.066667 Te\n0.070561 0.933333 0.641393 Te\n0.641392 0.070561 0.933334 Te\n0.514421 0.209870 0.632676 Te\n0.209870 0.632675 0.514422 Te\n0.790129 0.367324 0.485579 Te\n0.933333 0.641392 0.070561 Te\n0.929439 0.066666 0.358607 Te\n0.367324 0.485578 0.790130 Te\n0.000000 0.000000 0.000000 Te\n0.861290 0.707608 0.428630 S\n0.292391 0.571371 0.138710 S\n0.769373 0.769373 0.769374 S\n0.571371 0.138709 0.292392 S\n0.707608 0.428629 0.861291 S\n0.428629 0.861290 0.707609 S\n0.138709 0.292391 0.571371 S\n0.230626 0.230626 0.230626 S\n",
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"structure_string": "Sr3 Ca6 I18\n1.0\n13.628171 -0.000000 -0.000000\n-6.814085 11.802130 0.000124\n-0.000000 0.000069 7.062544\nSr Ca I\n3 6 18\ndirect\n0.333327 0.666664 0.495995 Sr\n-0.000001 -0.000000 -0.000000 Sr\n0.666663 0.333336 0.504004 Sr\n0.676131 0.676133 0.500001 Ca\n0.323859 0.000000 0.500000 Ca\n0.657520 0.000000 0.000000 Ca\n-0.000002 0.323867 0.499998 Ca\n-0.000002 0.657527 0.000000 Ca\n0.342471 0.342473 -0.000001 Ca\n0.771523 0.897116 0.742874 I\n0.785870 0.224037 0.761264 I\n0.897110 0.771527 0.257122 I\n0.775958 0.561836 0.761257 I\n0.542469 0.105304 0.246226 I\n0.562829 0.457527 0.246229 I\n0.438163 0.214124 0.761260 I\n0.457525 0.562836 0.753778 I\n0.214121 0.438164 0.238742 I\n0.561833 0.775963 0.238735 I\n0.125583 0.228473 0.742877 I\n0.894689 0.437164 0.246221 I\n0.437166 0.894696 0.753772 I\n0.105302 0.542473 0.753769 I\n0.224038 0.785876 0.238739 I\n0.102882 0.874412 0.742877 I\n0.228469 0.125588 0.257122 I\n0.874407 0.102884 0.257125 I\n",
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{
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"created_at": "2022-09-04T14:37:18.506956Z",
"updated_at": "2022-09-04T14:37:18.506975Z",
"structure_string": "Ca2 P1 Au1\n1.0\n-9.308445 0.000034 -5.374176\n-9.955187 -0.010635 6.494355\n-6.416216 9.999084 0.364679\nCa P Au\n2 1 1\ndirect\n0.767871 0.000001 0.000001 Ca\n0.232131 0.999999 0.999998 Ca\n0.000000 0.000000 0.000000 P\n0.500000 0.000000 -0.000000 Au\n",
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{
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"created_at": "2022-09-04T14:38:16.755652Z",
"updated_at": "2022-09-04T14:38:16.755678Z",
"structure_string": "Nb8 Te24 I4\n1.0\n0.000000 9.313847 -0.039329\n13.559543 0.000000 0.000000\n0.000000 -3.753654 -9.015653\nNb Te I\n8 24 4\ndirect\n0.824685 0.992967 0.870585 Nb\n0.175316 0.492967 0.629415 Nb\n0.175315 0.007033 0.129415 Nb\n0.824685 0.507033 0.370585 Nb\n0.475790 0.974977 0.631803 Nb\n0.524211 0.474977 0.868196 Nb\n0.524211 0.025023 0.368197 Nb\n0.475790 0.525023 0.131803 Nb\n0.085116 0.090389 0.838488 Te\n0.914885 0.590388 0.661511 Te\n0.545135 0.068652 0.911300 Te\n0.454866 0.568652 0.588700 Te\n0.454865 0.931348 0.088700 Te\n0.348663 0.855752 0.359023 Te\n0.651338 0.144248 0.640977 Te\n0.348663 0.644248 0.859023 Te\n0.085116 0.409611 0.338488 Te\n0.651338 0.355752 0.140977 Te\n0.545135 0.431348 0.411300 Te\n0.914884 0.909611 0.161512 Te\n0.955823 0.332445 0.532779 Te\n0.955823 0.167555 0.032779 Te\n0.044178 0.832445 0.967220 Te\n0.623403 0.692741 0.274312 Te\n0.376597 0.192741 0.225688 Te\n0.376597 0.307259 0.725688 Te\n0.623403 0.807259 0.774311 Te\n0.758916 0.601962 0.088589 Te\n0.241084 0.101962 0.411411 Te\n0.241084 0.398038 0.911411 Te\n0.758916 0.898038 0.588589 Te\n0.044178 0.667555 0.467220 Te\n0.812977 0.084240 0.345656 I\n0.187024 0.915759 0.654344 I\n0.812977 0.415759 0.845656 I\n0.187024 0.584240 0.154344 I\n",
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{
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