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{
"id": "jvasp-57146",
"created_at": "2022-09-04T14:38:34.829408Z",
"updated_at": "2022-09-04T14:38:34.829435Z",
"structure_string": "Lu2 Se2 O6 F2\n1.0\n4.237650 -0.015621 -0.089715\n-0.765377 6.391849 -0.060448\n-0.593485 -0.353004 6.756262\nLu Se O F\n2 2 6 2\ndirect\n0.458601 0.368783 0.241367 Lu\n0.541398 0.631217 0.758632 Lu\n0.682719 0.864195 0.284211 Se\n0.317279 0.135806 0.715788 Se\n0.633994 0.674464 0.086550 O\n0.395165 0.017875 0.221888 O\n0.490214 0.682372 0.430477 O\n0.366004 0.325536 0.913448 O\n0.604833 0.982126 0.778110 O\n0.509784 0.317628 0.569521 O\n0.957072 0.339515 0.259572 F\n0.042927 0.660486 0.740427 F\n",
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{
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"structure_string": "Yb2 Ti2 Cl2 O6\n1.0\n4.992886 -0.015911 1.485345\n3.503879 3.556964 1.485345\n0.053131 0.022143 10.155659\nYb Ti Cl O\n2 2 2 6\ndirect\n0.284560 0.284559 0.187431 Yb\n0.715442 0.715439 0.812570 Yb\n0.886421 0.886419 0.430999 Ti\n0.113580 0.113580 0.569002 Ti\n0.609314 0.609313 0.102706 Cl\n0.390688 0.390686 0.897295 Cl\n0.852307 0.852304 0.261400 O\n0.147695 0.147694 0.738601 O\n0.659324 0.659321 0.553435 O\n0.340678 0.340677 0.446566 O\n0.913286 0.913283 0.622999 O\n0.086716 0.086716 0.377002 O\n",
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{
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"structure_string": "Na2 Mg2 B2 O6\n1.0\n4.946574 0.000000 0.883802\n2.473287 4.429226 0.441901\n0.044496 0.000000 5.522599\nNa Mg B O\n2 2 2 6\ndirect\n0.334314 0.331374 0.250000 Na\n0.665686 0.668627 0.750000 Na\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.668069 0.663863 0.250000 B\n0.331931 0.336138 0.750000 B\n0.187178 0.181408 0.697929 O\n0.824427 0.351144 0.250000 O\n0.631414 0.181408 0.802071 O\n0.368586 0.818593 0.197929 O\n0.175573 0.648857 0.750000 O\n0.812822 0.818593 0.302071 O\n",
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{
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"created_at": "2022-09-04T14:38:33.726437Z",
"updated_at": "2022-09-04T14:38:33.726456Z",
"structure_string": "Mo2 W2 Se2 S6\n1.0\n3.224952 -0.000000 -0.000002\n-1.612476 2.792884 -0.000017\n-0.000020 -0.000237 34.073254\nMo W Se S\n2 2 2 6\ndirect\n0.333314 0.666636 0.096902 Mo\n0.666661 0.333317 0.279088 Mo\n0.333338 0.666676 0.468410 W\n0.666679 0.333364 0.658513 W\n0.666666 0.333333 0.417891 Se\n0.666675 0.333348 0.518930 Se\n0.333338 0.666673 0.324767 S\n0.333347 0.666700 0.704389 S\n0.666655 0.333319 0.051274 S\n0.666643 0.333291 0.142568 S\n0.333325 0.666644 0.233429 S\n0.333339 0.666684 0.612588 S\n",
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{
"id": "jvasp-112537",
"created_at": "2022-09-04T14:38:40.627369Z",
"updated_at": "2022-09-04T14:38:40.627384Z",
"structure_string": "Cu4 Ni4 Sb4 S12\n1.0\n4.865227 0.000000 0.000000\n0.000000 7.490678 0.000000\n0.000000 0.000000 12.392772\nCu Ni Sb S\n4 4 4 12\ndirect\n0.520523 0.618034 0.939801 Cu\n0.020523 0.881966 0.060199 Cu\n0.479477 0.118034 0.560199 Cu\n0.979478 0.381966 0.439801 Cu\n0.989872 0.868742 0.747850 Ni\n0.489872 0.631259 0.252150 Ni\n0.010129 0.368741 0.752150 Ni\n0.510129 0.131259 0.247850 Ni\n0.431114 0.127706 0.864542 Sb\n0.931115 0.372294 0.135457 Sb\n0.568886 0.627706 0.635457 Sb\n0.068886 0.872294 0.364542 Sb\n0.782007 0.370186 0.910192 S\n0.770657 0.870167 0.905881 S\n0.270657 0.629833 0.094119 S\n0.229343 0.370167 0.594119 S\n0.729344 0.129833 0.405881 S\n0.221619 0.622053 0.796112 S\n0.721619 0.877947 0.203888 S\n0.778382 0.122053 0.703888 S\n0.278381 0.377947 0.296112 S\n0.217994 0.870186 0.589807 S\n0.717994 0.629814 0.410192 S\n0.282006 0.129814 0.089807 S\n",
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{
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"created_at": "2022-09-04T14:38:34.863846Z",
"updated_at": "2022-09-04T14:38:34.863868Z",
"structure_string": "Na3 Li3 C3 O9\n1.0\n4.136493 -7.164616 0.000000\n4.136493 7.164616 0.000000\n-0.000000 0.000000 3.303635\nNa Li C O\n3 3 3 9\ndirect\n0.964549 0.635145 0.499999 Na\n0.670596 0.035450 0.499999 Na\n0.364854 0.329403 0.499999 Na\n0.641102 0.700044 0.000000 Li\n0.299955 0.941058 0.000000 Li\n0.058942 0.358898 0.000000 Li\n0.666667 0.333333 0.000000 C\n0.333333 0.666667 0.499999 C\n0.000000 0.000000 0.000000 C\n0.842750 0.385242 0.000000 O\n0.498702 0.685633 0.499999 O\n0.542494 0.157249 0.000000 O\n0.036139 0.864415 0.000000 O\n0.314366 0.813069 0.499999 O\n0.186930 0.501297 0.499999 O\n0.135585 0.171724 0.000000 O\n0.614757 0.457506 0.000000 O\n0.828275 0.963860 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:38:11.699888Z",
"updated_at": "2022-09-04T14:38:11.699915Z",
"structure_string": "Na3 Li3 C3 O9\n1.0\n4.162252 -7.209233 0.000000\n4.162252 7.209233 -0.000000\n-0.000000 -0.000000 3.255716\nNa Li C O\n3 3 3 9\ndirect\n0.038498 0.323765 0.500001 Na\n0.676235 0.714733 0.500001 Na\n0.285267 0.961501 0.500001 Na\n0.380184 0.340302 0.000000 Li\n0.960117 0.619815 0.000000 Li\n0.659698 0.039883 0.000000 Li\n0.333333 0.666667 0.000000 C\n0.666667 0.333333 0.500001 C\n0.000000 0.000000 0.000000 C\n0.541697 0.383699 0.500001 O\n0.265209 0.488542 0.000000 O\n0.511457 0.776666 0.000000 O\n0.223333 0.734791 0.000000 O\n0.911811 0.819993 0.000000 O\n0.180007 0.091818 0.000000 O\n0.842002 0.458303 0.500001 O\n0.616300 0.157998 0.500001 O\n0.908181 0.088188 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:36:15.505994Z",
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"structure_string": "P4 Au4 Cl4 F12\n1.0\n4.613576 0.000000 0.000000\n0.000000 5.396682 0.000000\n0.000000 0.000000 18.061462\nP Au Cl F\n4 4 4 12\ndirect\n0.506249 0.750000 0.352409 P\n0.006249 0.250000 0.147591 P\n0.993752 0.750000 0.852409 P\n0.493752 0.250000 0.647591 P\n0.150929 0.250000 0.031411 Au\n0.650930 0.750000 0.468589 Au\n0.849071 0.750000 0.968589 Au\n0.349071 0.250000 0.531411 Au\n0.372821 0.250000 0.917221 Cl\n0.627180 0.750000 0.082779 Cl\n0.127179 0.250000 0.417221 Cl\n0.872822 0.750000 0.582779 Cl\n0.179855 0.750000 0.329482 F\n0.116022 0.471037 0.196104 F\n0.679855 0.250000 0.170518 F\n0.383978 0.028963 0.696104 F\n0.383978 0.471037 0.696104 F\n0.616022 0.528963 0.303896 F\n0.616022 0.971037 0.303896 F\n0.820146 0.250000 0.670518 F\n0.320146 0.750000 0.829482 F\n0.883979 0.528963 0.803896 F\n0.883979 0.971037 0.803896 F\n0.116022 0.028963 0.196104 F\n",
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{
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"created_at": "2022-09-04T14:37:12.043369Z",
"updated_at": "2022-09-04T14:37:12.043388Z",
"structure_string": "K2 Th2 Cu2 S6\n1.0\n4.085172 0.000000 0.000000\n-2.042586 6.850014 -0.000000\n0.000000 0.000000 10.569499\nK Th Cu S\n2 2 2 6\ndirect\n0.744033 0.488067 0.250000 K\n0.255965 0.511932 0.750000 K\n0.000000 0.000000 0.000000 Th\n0.000000 0.000000 0.500000 Th\n0.466742 0.933486 0.250000 Cu\n0.533256 0.066513 0.750000 Cu\n0.629415 0.258831 0.932799 S\n0.370583 0.741168 0.067201 S\n0.933667 0.867337 0.750000 S\n0.066331 0.132662 0.250000 S\n0.370583 0.741168 0.432799 S\n0.629415 0.258831 0.567201 S\n",
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{
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"created_at": "2022-09-04T14:38:31.069884Z",
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"structure_string": "Fe4 Te4 O12 F4\n1.0\n0.000000 5.093194 0.016154\n5.051628 0.000000 0.000000\n0.000000 -3.508440 -12.469576\nFe Te O F\n4 4 12 4\ndirect\n0.110588 0.759797 0.073096 Fe\n0.889412 0.240203 0.926904 Fe\n0.889412 0.259797 0.426904 Fe\n0.110588 0.740203 0.573096 Fe\n0.319283 0.787173 0.830972 Te\n0.319283 0.712828 0.330972 Te\n0.680717 0.287173 0.669029 Te\n0.680717 0.212827 0.169029 Te\n0.063877 0.584066 0.201823 O\n0.936123 0.084066 0.298177 O\n0.867271 0.431296 0.569174 O\n0.132728 0.568705 0.430827 O\n0.550214 0.096876 0.837910 O\n0.936123 0.415935 0.798177 O\n0.449786 0.596876 0.662090 O\n0.867271 0.068704 0.069174 O\n0.063877 0.915935 0.701823 O\n0.132728 0.931296 0.930827 O\n0.550214 0.403124 0.337910 O\n0.449785 0.903124 0.162090 O\n0.247981 0.067542 0.515446 F\n0.247981 0.432458 0.015446 F\n0.752019 0.567542 0.984555 F\n0.752019 0.932459 0.484554 F\n",
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{
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"created_at": "2022-09-04T14:38:30.998225Z",
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"structure_string": "K4 Na4 Ge4 O12\n1.0\n4.801822 0.000000 0.000000\n0.000000 6.907163 0.000000\n0.000000 0.000000 10.736453\nK Na Ge O\n4 4 4 12\ndirect\n0.525088 0.886002 0.735807 K\n0.525088 0.386002 0.764192 K\n0.025088 0.613997 0.235807 K\n0.025088 0.113997 0.264193 K\n0.539455 0.878533 0.417101 Na\n0.039455 0.621466 0.917101 Na\n0.539455 0.378534 0.082899 Na\n0.039455 0.121466 0.582899 Na\n0.001244 0.131939 0.950278 Ge\n0.501243 0.868061 0.049722 Ge\n0.501243 0.368061 0.450278 Ge\n0.001244 0.631939 0.549721 Ge\n0.057720 0.839388 0.458135 O\n0.122815 0.913602 0.031778 O\n0.557720 0.160612 0.541865 O\n0.568377 0.860450 0.208254 O\n0.622815 0.586397 0.531778 O\n0.122815 0.413602 0.468222 O\n0.068377 0.639549 0.708254 O\n0.622815 0.086397 0.968222 O\n0.057720 0.339388 0.041865 O\n0.557720 0.660612 0.958135 O\n0.568377 0.360450 0.291746 O\n0.068377 0.139550 0.791746 O\n",
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{
"id": "jvasp-28758",
"created_at": "2022-09-04T14:38:30.601232Z",
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"structure_string": "Mo2 W2 Se2 S6\n1.0\n3.225266 0.000000 0.000000\n-1.612633 2.793205 -0.000325\n0.000000 -0.004148 32.877324\nMo W Se S\n2 2 2 6\ndirect\n0.333489 0.666975 0.089969 Mo\n0.666662 0.333320 0.279463 Mo\n0.333437 0.666870 0.468520 W\n0.666417 0.332830 0.664966 W\n0.333126 0.666250 0.717259 Se\n0.333037 0.666072 0.612608 Se\n0.333285 0.666568 0.326780 S\n0.666543 0.333081 0.042683 S\n0.666746 0.333487 0.420953 S\n0.667120 0.334238 0.137296 S\n0.666817 0.333629 0.516110 S\n0.333333 0.666666 0.232142 S\n",
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]
}