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{
"id": "jvasp-108974",
"created_at": "2022-09-04T14:38:06.636416Z",
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"structure_string": "K2 Li1 Sc1 F6\n1.0\n4.988438 -0.000000 2.880076\n1.662813 4.703145 2.880076\n-0.000000 -0.000000 5.760153\nK Li Sc F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.749999 0.750001 K\n0.500000 0.499999 0.500001 Li\n0.000000 0.000000 0.000000 Sc\n0.248352 0.248351 0.751649 F\n0.248351 0.751648 0.751649 F\n0.751649 0.751648 0.248353 F\n0.248351 0.751648 0.248353 F\n0.751649 0.248351 0.751649 F\n0.751649 0.248351 0.248352 F\n",
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{
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{
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"updated_at": "2022-09-04T14:38:09.722824Z",
"structure_string": "Li4 Mn5 O9 F1\n1.0\n5.105830 -0.022510 -0.007446\n-1.166818 5.209832 0.021507\n-1.787516 -2.535110 7.123743\nLi Mn O F\n4 5 9 1\ndirect\n0.893720 0.811147 0.306912 Li\n0.495091 0.962192 0.477413 Li\n0.112138 0.183449 0.689435 Li\n0.717544 0.414103 0.919124 Li\n0.202145 0.402580 0.391715 Mn\n0.008779 0.984451 0.006495 Mn\n0.601331 0.183320 0.200778 Mn\n0.792552 0.592628 0.597368 Mn\n0.389041 0.790481 0.805658 Mn\n0.436033 0.459192 0.651499 O\n0.862886 0.213016 0.436881 O\n0.278535 0.030190 0.267151 O\n0.664225 0.798599 0.026917 O\n0.943215 0.338061 0.145079 O\n0.137668 0.800304 0.571265 O\n0.555958 0.598505 0.371142 O\n0.001608 0.633933 0.842961 O\n0.356271 0.138939 0.952565 O\n0.750129 0.056445 0.737407 F\n",
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{
"id": "jvasp-52455",
"created_at": "2022-09-04T14:38:16.421953Z",
"updated_at": "2022-09-04T14:38:16.421980Z",
"structure_string": "V2 Cu3 H6 O11\n1.0\n5.382653 2.936839 -0.567462\n-5.382653 2.936839 0.567462\n-0.155649 0.000000 7.178961\nV Cu H O\n2 3 6 11\ndirect\n0.502146 0.497855 0.748463 V\n0.497855 0.502146 0.251537 V\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 -0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.985477 0.276385 0.564072 H\n0.276385 0.985477 0.435927 H\n0.723616 0.014523 0.564072 H\n0.851685 0.148315 0.263156 H\n0.148315 0.851685 0.736844 H\n0.014523 0.723616 0.435927 H\n0.169235 0.830765 0.518863 O\n0.500000 0.500000 0.500000 O\n0.152819 0.847182 0.880519 O\n0.847182 0.152819 0.119481 O\n0.189380 0.336274 0.810149 O\n0.663727 0.810621 0.810149 O\n0.810621 0.663727 0.189851 O\n0.336274 0.189380 0.189851 O\n0.340779 0.659221 0.143949 O\n0.659221 0.340779 0.856051 O\n0.830765 0.169235 0.481136 O\n",
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{
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"updated_at": "2022-09-04T14:38:09.715227Z",
"structure_string": "Ba3 In2 O5 F2\n1.0\n4.156810 0.000000 -0.749624\n-0.135184 4.154611 -0.749624\n0.002761 0.002851 11.915281\nBa In O F\n3 2 5 2\ndirect\n0.500001 0.500000 0.000000 Ba\n0.676902 0.676901 0.353804 Ba\n0.323099 0.323098 0.646196 Ba\n0.908851 0.908850 0.817700 In\n0.091150 0.091150 0.182301 In\n0.103741 0.603741 0.207482 O\n0.603741 0.103741 0.207482 O\n0.000000 0.000000 0.000000 O\n0.896260 0.396259 0.792519 O\n0.396260 0.896259 0.792519 O\n0.205236 0.205235 0.410470 F\n0.794765 0.794764 0.589530 F\n",
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{
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"created_at": "2022-09-04T14:38:04.333633Z",
"updated_at": "2022-09-04T14:38:04.333654Z",
"structure_string": "Ag2 Pb8 Cl2 O8\n1.0\n6.345376 0.000000 -0.000000\n-0.000000 8.285338 0.000002\n0.000000 -0.000002 8.285338\nAg Pb Cl O\n2 8 2 8\ndirect\n0.914311 0.750000 0.750000 Ag\n0.085690 0.250000 0.250000 Ag\n0.234295 0.602955 0.062221 Pb\n0.765706 0.937779 0.102955 Pb\n0.765706 0.562221 0.397045 Pb\n0.765706 0.397045 0.937779 Pb\n0.234295 0.062221 0.897045 Pb\n0.234295 0.437779 0.602955 Pb\n0.234295 0.897045 0.437779 Pb\n0.765706 0.102955 0.562221 Pb\n0.488862 0.250000 0.250000 Cl\n0.511139 0.750000 0.750000 Cl\n0.919714 0.993507 0.340774 O\n0.080286 0.840774 0.006493 O\n0.080286 0.006493 0.659226 O\n0.080286 0.659226 0.493507 O\n0.080286 0.493507 0.840774 O\n0.919714 0.506493 0.159226 O\n0.919714 0.340774 0.506493 O\n0.919714 0.159226 0.993507 O\n",
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{
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"created_at": "2022-09-04T14:38:09.704610Z",
"updated_at": "2022-09-04T14:38:09.704630Z",
"structure_string": "Sm6 Cu2 Sn2 S14\n1.0\n4.971103 -8.610202 0.000000\n4.971102 8.610202 0.000000\n0.000000 0.000000 6.199829\nSm Cu Sn S\n6 2 2 14\ndirect\n0.359331 0.147194 0.768902 Sm\n0.852806 0.212137 0.768902 Sm\n0.640669 0.852806 0.268901 Sm\n0.212137 0.359331 0.268901 Sm\n0.787863 0.640669 0.768902 Sm\n0.147194 0.787863 0.268901 Sm\n0.000000 0.000000 0.177554 Cu\n0.000000 0.000000 0.677554 Cu\n0.333333 0.666667 0.836978 Sn\n0.666667 0.333333 0.336978 Sn\n0.850362 0.739874 0.205291 S\n0.666667 0.333333 0.951263 S\n0.739874 0.889512 0.705291 S\n0.333333 0.666667 0.451263 S\n0.917251 0.481160 0.512642 S\n0.082749 0.518840 0.012642 S\n0.260125 0.110488 0.205291 S\n0.889512 0.149637 0.205291 S\n0.110488 0.850362 0.705291 S\n0.518840 0.436091 0.512642 S\n0.149637 0.260125 0.705291 S\n0.436091 0.917251 0.012642 S\n0.481160 0.563909 0.012642 S\n0.563909 0.082749 0.512642 S\n",
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{
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"created_at": "2022-09-04T14:38:28.006608Z",
"updated_at": "2022-09-04T14:38:28.006639Z",
"structure_string": "Li2 Co2 Si2 O8\n1.0\n4.962793 -0.000129 -0.003328\n0.000641 5.508068 0.000115\n0.038002 0.001573 6.061036\nLi Co Si O\n2 2 2 8\ndirect\n0.023075 0.338125 0.253845 Li\n0.523165 0.661871 0.753941 Li\n0.522963 0.171645 -0.000087 Co\n0.023035 0.828310 0.500048 Co\n0.018383 0.840067 0.003119 Si\n0.518362 0.159953 0.503005 Si\n0.149760 0.115652 0.023733 O\n0.687358 0.864101 0.984743 O\n0.089561 0.679496 0.226372 O\n0.633048 0.291715 0.276088 O\n0.187340 0.135875 0.484690 O\n0.649819 0.884374 0.523779 O\n0.589525 0.320523 0.726179 O\n0.133130 0.708290 0.776290 O\n",
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{
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"structure_string": "K2 Tl1 Bi1 F6\n1.0\n5.935221 -0.000000 3.426702\n1.978407 5.595780 3.426702\n-0.000000 -0.000000 6.853403\nK Tl Bi F\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 Tl\n0.000000 0.000000 0.000000 Bi\n0.766961 0.233038 0.233038 F\n0.233039 0.233038 0.766961 F\n0.233039 0.766962 0.766961 F\n0.233039 0.766962 0.233038 F\n0.766961 0.233038 0.766961 F\n0.766962 0.766962 0.233038 F\n",
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{
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"structure_string": "Ga2 Ag2 Se3 S1\n1.0\n6.250855 -0.050212 2.939868\n3.357866 5.272613 2.939868\n0.029251 0.015898 5.896301\nGa Ag Se S\n2 2 3 1\ndirect\n0.753200 0.498214 0.625938 Ga\n0.501786 0.246801 0.374062 Ga\n0.233085 0.989248 0.194370 Ag\n0.010752 0.766915 0.805630 Ag\n0.860366 0.139635 -0.000000 Se\n0.596326 0.879677 0.741135 Se\n0.120324 0.403675 0.258865 Se\n0.434167 0.565834 0.500000 S\n",
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{
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"updated_at": "2022-09-04T14:38:07.149195Z",
"structure_string": "Li4 Ti2 Cr4 O12\n1.0\n5.090984 0.003029 0.000000\n-2.555784 4.402964 -0.000000\n0.000000 0.000000 9.987324\nLi Ti Cr O\n4 2 4 12\ndirect\n0.147994 0.647993 0.750000 Li\n0.352006 0.852005 0.250000 Li\n0.647994 0.147994 0.750000 Li\n0.852005 0.352006 0.250000 Li\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.163623 0.836376 0.500000 Cr\n0.336377 0.663622 0.000000 Cr\n0.663622 0.336377 0.000000 Cr\n0.836377 0.163623 0.500000 Cr\n0.505946 0.165724 0.392588 O\n0.828949 0.828949 0.398959 O\n0.334276 0.994053 0.892588 O\n0.671051 0.671050 0.898959 O\n0.328949 0.328949 0.101041 O\n0.005946 0.665724 0.107412 O\n0.494054 0.834275 0.607412 O\n0.165724 0.505946 0.392588 O\n0.994053 0.334276 0.892588 O\n0.834275 0.494054 0.607412 O\n0.171051 0.171051 0.601041 O\n0.665724 0.005946 0.107412 O\n",
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{
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"structure_string": "Ca1 Zr1 Si2 O7\n1.0\n4.692422 0.006965 -0.589257\n-0.861946 5.340992 -1.279337\n0.004756 -0.000672 5.559301\nCa Zr Si O\n1 1 2 7\ndirect\n0.500000 0.292905 0.707095 Ca\n0.499999 0.684897 0.315103 Zr\n0.919068 0.221180 0.206381 Si\n0.080932 0.793619 0.778820 Si\n0.712747 0.412894 0.117753 O\n0.287252 0.882247 0.587106 O\n0.736231 0.036694 0.345316 O\n0.263769 0.654684 0.963306 O\n0.000001 0.060398 0.939602 O\n0.779194 0.623597 0.623710 O\n0.220805 0.376289 0.376404 O\n",
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]
}