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{
"id": "jvasp-111850",
"created_at": "2022-09-04T14:38:42.312961Z",
"updated_at": "2022-09-04T14:38:42.312980Z",
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{
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"updated_at": "2022-09-04T14:38:34.119830Z",
"structure_string": "Te8 Mo6 S4\n1.0\n-1.890598 -2.874408 -0.000403\n6.435495 -6.292081 -0.050130\n-1.588067 3.101681 14.276068\nTe Mo S\n8 6 4\ndirect\n0.575763 0.234487 0.385964 Te\n0.175062 0.527403 0.877566 Te\n0.831029 0.446605 0.108617 Te\n0.080104 0.459784 0.620051 Te\n0.502305 0.886727 0.891382 Te\n0.253229 0.873549 0.379949 Te\n0.158271 0.805931 0.122433 Te\n0.757574 0.098846 0.614038 Te\n0.317993 0.606913 0.242851 Mo\n0.686618 0.372182 0.745450 Mo\n0.646715 0.961153 0.254550 Mo\n0.015341 0.726419 0.757149 Mo\n0.981541 0.286036 0.249080 Mo\n0.351794 0.047298 0.750921 Mo\n0.827778 0.194320 0.849910 S\n0.431274 0.791251 0.653865 S\n0.902060 0.542085 0.346138 S\n0.505558 0.139012 0.150089 S\n",
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{
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"created_at": "2022-09-04T14:35:56.443478Z",
"updated_at": "2022-09-04T14:35:56.443508Z",
"structure_string": "H16 N8 O12\n1.0\n6.335328 0.000000 0.000000\n0.000000 7.466894 0.000000\n0.000000 0.000000 6.236504\nH N O\n16 8 12\ndirect\n0.704442 0.526786 0.958006 H\n0.972795 0.707087 -0.035997 H\n0.667614 0.220602 0.439759 H\n0.789854 0.512046 0.707400 H\n0.027205 0.292913 0.464003 H\n0.210146 0.487953 0.207400 H\n0.332387 0.779398 0.939758 H\n0.167614 0.279398 0.939758 H\n0.289854 -0.012047 0.207400 H\n0.710146 0.012047 0.707400 H\n0.832387 0.720601 0.439759 H\n0.527206 0.207087 -0.035997 H\n0.204442 -0.026786 0.458007 H\n0.295558 0.473214 0.458007 H\n0.795558 0.026786 0.958006 H\n0.472795 0.792912 0.464003 H\n0.039587 0.829552 0.254477 N\n-0.039587 0.170448 0.754477 N\n0.539588 0.670447 0.754477 N\n0.460413 0.329552 0.254477 N\n0.254232 0.398001 0.324929 N\n0.754233 0.101999 0.824929 N\n0.245768 0.898001 0.324929 N\n0.745768 0.601999 0.824929 N\n0.513944 0.193727 0.408448 O\n0.604687 0.440580 0.217853 O\n0.895314 0.940580 0.217853 O\n0.395314 0.559419 0.717853 O\n0.104686 0.059420 0.717853 O\n0.392501 0.218287 0.049703 O\n-0.013943 0.693727 0.408448 O\n0.607499 0.781713 0.549703 O\n0.013943 0.306272 0.908448 O\n0.486057 0.806272 0.908448 O\n0.892501 0.281713 0.549703 O\n0.107499 0.718286 0.049703 O\n",
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{
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"created_at": "2022-09-04T14:35:55.408013Z",
"updated_at": "2022-09-04T14:35:55.408032Z",
"structure_string": "Fe6 O4 F8\n1.0\n4.697244 0.046518 0.016670\n0.154632 5.586425 0.040824\n0.104208 0.690496 7.689585\nFe O F\n6 4 8\ndirect\n0.507583 0.821760 0.660747 Fe\n0.519643 0.505583 0.000535 Fe\n0.454261 0.202195 0.358612 Fe\n0.000842 0.338555 0.679827 Fe\n0.002782 0.662021 0.298037 Fe\n0.983776 0.976071 0.012503 Fe\n0.315756 0.475580 0.213923 O\n0.296511 0.125236 0.581899 O\n0.780908 0.690473 0.088664 O\n0.694176 0.528164 0.775033 O\n0.197481 0.632792 0.553674 F\n0.802373 0.371963 0.434255 F\n0.800555 0.024689 0.772046 F\n0.707843 0.213164 0.098183 F\n0.709406 0.877212 0.422779 F\n0.299317 0.785135 0.905497 F\n0.211824 0.977038 0.233131 F\n0.214953 0.292385 0.910646 F\n",
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{
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"created_at": "2022-09-04T14:35:48.537188Z",
"updated_at": "2022-09-04T14:35:48.537208Z",
"structure_string": "Mn6 O8 F4\n1.0\n0.000000 4.602751 -0.000084\n2.980835 0.000000 0.000000\n0.000000 -0.000563 -13.875224\nMn O F\n6 8 4\ndirect\n0.077276 0.000000 0.825700 Mn\n0.000000 0.000000 0.500000 Mn\n0.922724 0.000000 0.174299 Mn\n0.577273 0.499999 0.674295 Mn\n0.422727 0.499999 0.325705 Mn\n0.500000 0.499999 -0.000000 Mn\n0.176642 0.499999 0.433757 O\n0.260672 0.499999 0.767832 O\n0.323362 0.000000 0.933753 O\n0.239331 0.000000 0.267838 O\n0.760670 0.000000 0.732162 O\n0.739328 0.499999 0.232167 O\n0.823358 0.499999 0.566243 O\n0.676639 0.000000 0.066246 O\n0.349395 0.000000 0.607254 F\n0.849402 0.499999 0.892739 F\n0.650605 0.000000 0.392746 F\n0.150598 0.499999 0.107260 F\n",
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{
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"created_at": "2022-09-04T14:35:54.904921Z",
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"structure_string": "K4 Pd6 Se8\n1.0\n6.230249 0.000000 1.488924\n3.115124 5.505599 0.744461\n0.101975 0.000000 13.352681\nK Pd Se\n4 6 8\ndirect\n0.302080 0.250000 0.395840 K\n0.447919 0.250000 0.104160 K\n0.697918 0.750000 0.604160 K\n0.552079 0.750000 0.895839 K\n0.124999 0.750000 0.750000 Pd\n0.626033 0.250000 0.747931 Pd\n0.123965 0.250000 0.752069 Pd\n0.373965 0.750000 0.252069 Pd\n0.876033 0.750000 0.247931 Pd\n0.875000 0.250000 0.250000 Pd\n0.886564 0.084791 0.879211 Se\n0.765776 0.584791 0.120789 Se\n0.971356 0.915210 0.379211 Se\n0.113434 0.915210 0.120789 Se\n0.234223 0.415210 0.879211 Se\n0.028643 0.084791 0.620789 Se\n0.350566 0.415210 0.620789 Se\n0.649433 0.584791 0.379211 Se\n",
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{
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"structure_string": "Eu3 S2 F4\n1.0\n3.865576 0.000000 -0.000000\n0.000000 3.865576 0.000000\n-1.932788 -1.932788 9.908613\nEu S F\n3 2 4\ndirect\n0.000000 0.000000 0.000000 Eu\n0.664173 0.664173 0.328346 Eu\n0.335827 0.335827 0.671654 Eu\n0.805697 0.805697 0.611394 S\n0.194303 0.194303 0.388606 S\n0.067531 0.567532 0.135062 F\n0.567532 0.067531 0.135062 F\n0.932469 0.432469 0.864937 F\n0.432469 0.932469 0.864937 F\n",
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"structure_string": "Ca6 In4 As8\n1.0\n4.365523 0.000000 0.000000\n0.000000 6.611679 -0.000000\n0.000000 0.000000 16.172100\nCa In As\n6 4 8\ndirect\n0.000000 0.280904 0.804877 Ca\n0.500000 0.780904 0.695123 Ca\n0.000000 0.719096 0.195123 Ca\n0.500000 0.219096 0.304877 Ca\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.500000 0.641911 0.911058 In\n0.000000 0.141911 0.588942 In\n0.000000 0.858090 0.411058 In\n0.500000 0.358089 0.088942 In\n0.000000 0.739139 0.571788 As\n0.500000 0.239139 0.928212 As\n0.500000 0.760861 0.071788 As\n0.000000 0.224094 0.174514 As\n0.000000 0.260861 0.428212 As\n0.500000 0.724094 0.325486 As\n0.000000 0.775906 0.825486 As\n0.500000 0.275906 0.674514 As\n",
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"structure_string": "K4 Ag8 S6\n1.0\n4.255311 0.000000 -0.000000\n-2.127656 8.345256 -2.732010\n-0.000000 -0.014262 11.576455\nK Ag S\n4 8 6\ndirect\n0.667523 0.335047 0.838711 K\n0.814300 0.628600 0.658613 K\n0.185699 0.371400 0.341388 K\n0.332476 0.664953 0.161290 K\n0.985144 0.970289 0.120802 Ag\n0.024110 0.048221 0.632602 Ag\n0.975889 0.951780 0.367399 Ag\n0.590959 0.181918 0.086098 Ag\n0.405842 0.811685 0.488521 Ag\n0.594158 0.188316 0.511480 Ag\n0.409040 0.818083 0.913903 Ag\n0.014855 0.029712 0.879199 Ag\n0.834467 0.668936 0.383404 S\n0.466576 0.933154 0.724528 S\n0.165532 0.331064 0.616597 S\n0.851195 0.702393 0.960006 S\n0.148804 0.297608 0.039995 S\n0.533423 0.066846 0.275473 S\n",
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{
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"structure_string": "K4 Ni6 S8\n1.0\n5.627097 -0.000000 1.235807\n2.813549 5.033664 0.617903\n0.076545 0.000000 13.080523\nK Ni S\n4 6 8\ndirect\n0.546172 0.749999 0.907658 K\n0.296171 0.250000 0.407658 K\n0.453830 0.250000 0.092342 K\n0.703831 0.749999 0.592341 K\n0.875730 0.749999 0.248542 Ni\n0.374272 0.749999 0.251458 Ni\n0.124272 0.250000 0.751458 Ni\n0.625730 0.250000 0.748542 Ni\n0.875001 0.250000 0.250000 Ni\n0.125001 0.749999 0.750000 Ni\n0.655837 0.582674 0.364255 S\n0.102767 0.917324 0.135745 S\n0.979911 0.917324 0.364255 S\n0.761491 0.582674 0.135745 S\n0.897235 0.082675 0.864255 S\n0.344165 0.417325 0.635745 S\n0.020091 0.082675 0.635745 S\n0.238511 0.417325 0.864255 S\n",
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