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{
"id": "jvasp-111237",
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"structure_string": "Rb2 Li1 Rh1 F6\n1.0\n5.046791 -0.000000 2.913766\n1.682264 4.758160 2.913766\n-0.000000 -0.000000 5.827532\nRb Li Rh F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Rh\n0.755513 0.244486 0.244487 F\n0.244486 0.244486 0.755514 F\n0.244486 0.755514 0.755514 F\n0.244486 0.755514 0.244487 F\n0.755513 0.244486 0.755514 F\n0.755513 0.755514 0.244488 F\n",
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{
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{
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"structure_string": "Yb4 Be4 Si2 O14\n1.0\n7.360056 0.000000 0.000000\n0.000000 7.360056 0.000000\n0.000000 0.000000 4.645735\nYb Be Si O\n4 4 2 14\ndirect\n0.164840 0.335160 0.490244 Yb\n0.835160 0.664841 0.490244 Yb\n0.664841 0.164840 0.509757 Yb\n0.335160 0.835160 0.509757 Yb\n0.645434 0.854567 0.940799 Be\n0.354567 0.145434 0.940799 Be\n0.145434 0.645434 0.059202 Be\n0.854567 0.354567 0.059202 Be\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 -0.000000 Si\n0.581512 0.663137 0.795383 O\n0.836864 0.918489 0.795383 O\n0.418489 0.336864 0.795383 O\n0.163137 0.081512 0.795383 O\n0.918489 0.163137 0.204618 O\n0.081512 0.836864 0.204618 O\n0.500000 0.000000 0.855244 O\n0.122324 0.622325 0.714940 O\n0.377676 0.122324 0.285061 O\n0.622325 0.877676 0.285061 O\n0.336864 0.581512 0.204618 O\n-0.000000 0.500000 0.144757 O\n0.877676 0.377676 0.714940 O\n0.663137 0.418489 0.204618 O\n",
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{
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"updated_at": "2022-09-04T14:38:46.209767Z",
"structure_string": "Lu3 Mg2 Cr1 S8\n1.0\n6.620200 -0.000299 3.824167\n2.205939 6.150397 3.822787\n-0.000876 -0.000506 7.645484\nLu Mg Cr S\n3 2 1 8\ndirect\n0.500014 0.499992 0.499993 Lu\n0.500008 0.500000 -0.000000 Lu\n-0.000002 0.500007 0.500013 Lu\n0.874724 0.875857 0.874714 Mg\n0.125283 0.124139 0.125289 Mg\n0.499983 0.000000 0.499996 Cr\n0.731903 0.763823 0.731905 S\n0.268013 0.236256 0.727626 S\n0.255658 0.733157 0.255642 S\n0.727620 0.236242 0.268020 S\n0.744352 0.266840 0.744359 S\n0.272384 0.763728 0.731982 S\n0.268069 0.236214 0.268090 S\n0.731994 0.763737 0.272376 S\n",
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{
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"created_at": "2022-09-04T14:38:32.957610Z",
"updated_at": "2022-09-04T14:38:32.957645Z",
"structure_string": "Zn2 Si2 Ag4 S8\n1.0\n6.589301 0.000000 0.000000\n-0.000000 5.050998 4.052081\n-0.000000 0.032740 10.203405\nZn Si Ag S\n2 2 4 8\ndirect\n0.686190 0.598741 0.679744 Zn\n0.313810 0.598741 0.179744 Zn\n0.816372 0.355685 0.425846 Si\n0.183627 0.355685 0.925846 Si\n0.679102 0.087708 0.174371 Ag\n0.320898 0.087708 0.674371 Ag\n0.848634 0.859051 0.919004 Ag\n0.151366 0.859051 0.419004 Ag\n0.872855 0.469327 0.915862 S\n0.127145 0.469327 0.415862 S\n0.682519 0.265631 0.648498 S\n0.317481 0.265631 0.148498 S\n0.800610 0.011480 0.438535 S\n0.199390 0.011480 0.938535 S\n0.660907 0.675720 0.200092 S\n0.339093 0.675720 0.700092 S\n",
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{
"id": "jvasp-113184",
"created_at": "2022-09-04T14:38:46.190741Z",
"updated_at": "2022-09-04T14:38:46.190758Z",
"structure_string": "Sr4 Mn2 Cl2 O6\n1.0\n3.896024 0.000318 0.000000\n-0.000306 3.896024 -0.000002\n-0.000007 0.000001 14.507037\nSr Mn Cl O\n4 2 2 6\ndirect\n0.250000 0.250000 0.094243 Sr\n0.749998 0.749999 0.905757 Sr\n0.250000 0.250000 0.344117 Sr\n0.749997 0.749999 0.655884 Sr\n0.749999 0.750000 0.210432 Mn\n0.249999 0.249999 0.789566 Mn\n0.749998 0.750000 0.426064 Cl\n0.249998 0.249999 0.573936 Cl\n0.749999 0.250000 0.229842 O\n0.249999 0.750000 0.229842 O\n0.249998 0.749999 0.770159 O\n0.749998 0.250000 0.770158 O\n0.749998 0.750000 0.075355 O\n0.249999 0.249999 0.924647 O\n",
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{
"id": "jvasp-112606",
"created_at": "2022-09-04T14:38:41.378039Z",
"updated_at": "2022-09-04T14:38:41.378064Z",
"structure_string": "Ba1 Na3 P2 O8\n1.0\n5.563532 -0.000000 0.000000\n-2.781766 4.818161 0.000000\n-0.000000 -0.000000 7.053400\nBa Na P O\n1 3 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.668004 Na\n0.666666 0.333333 0.331996 Na\n0.000000 0.000000 0.500000 Na\n0.333333 0.666667 0.221414 P\n0.666666 0.333333 0.778586 P\n0.333333 0.666667 0.001896 O\n0.666666 0.333333 0.998105 O\n0.183137 0.816862 0.299734 O\n0.816861 0.183138 0.700266 O\n0.183138 0.366276 0.299734 O\n0.816861 0.633724 0.700266 O\n0.633723 0.816862 0.299734 O\n0.366276 0.183138 0.700266 O\n",
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],
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{
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"structure_string": "Mn1 Ni1 Sn1 Rh1\n1.0\n3.790674 0.000000 2.188547\n1.263558 3.573881 2.188547\n-0.000000 -0.000000 4.377093\nMn Ni Sn Rh\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Ni\n0.500000 0.500000 0.500001 Sn\n0.750000 0.750000 0.750001 Rh\n",
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{
"id": "jvasp-112158",
"created_at": "2022-09-04T14:38:45.713022Z",
"updated_at": "2022-09-04T14:38:45.713060Z",
"structure_string": "Hf1 H8 C6 O4\n1.0\n3.802183 -0.113754 0.331442\n-1.204652 4.294279 -1.381796\n-0.047605 0.043140 9.679960\nHf H C O\n1 8 6 4\ndirect\n0.034418 0.864668 0.690704 Hf\n0.785779 0.882797 0.083291 H\n0.312735 0.796484 0.117582 H\n0.804614 0.409195 0.146421 H\n0.321416 0.264646 0.143612 H\n0.061603 -0.001280 0.327313 H\n0.674484 0.134087 0.352754 H\n0.256216 0.643490 0.364031 H\n0.601108 0.500664 0.396796 H\n0.533017 0.686902 0.077730 C\n0.553280 0.481328 0.172647 C\n0.539396 0.641976 0.334884 C\n0.886693 0.105077 0.545193 C\n0.796374 0.977267 0.383882 C\n0.440736 0.521673 0.920126 C\n0.206674 0.246490 0.886218 O\n0.978238 0.430581 0.584893 O\n0.586506 0.982237 0.636927 O\n0.578082 0.672270 0.828120 O\n",
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{
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"created_at": "2022-09-04T14:38:46.233346Z",
"updated_at": "2022-09-04T14:38:46.233366Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.784041 0.319975 0.219789\n1.719777 4.491322 0.240225\n0.485995 0.116446 17.607443\nCd H C O\n1 20 12 4\ndirect\n0.618679 0.013553 0.151592 Cd\n0.065778 0.778514 0.491713 H\n0.359768 0.305879 0.411267 H\n0.303660 0.212004 0.954601 H\n0.755232 0.181240 0.835170 H\n0.170265 0.248747 0.811438 H\n0.623408 0.222809 0.694046 H\n0.038187 0.290777 0.670205 H\n0.491127 0.264389 0.552810 H\n0.906112 0.332203 0.529070 H\n0.905543 0.126069 0.974531 H\n0.775154 0.372382 0.387817 H\n0.461614 0.655027 0.915464 H\n-0.122947 0.721348 0.891901 H\n0.329844 0.695360 0.774212 H\n0.744882 0.763049 0.750409 H\n0.197401 0.736650 0.633020 H\n0.612074 0.804806 0.609219 H\n0.933306 0.815259 0.348520 H\n0.331506 0.901114 0.328648 H\n0.480692 0.846279 0.468080 H\n0.907793 0.473429 0.042722 C\n-0.016461 0.321003 0.966522 C\n0.778434 0.537335 0.900453 C\n0.852847 0.366427 0.826240 C\n0.647191 0.577959 0.759380 C\n0.720830 0.408050 0.685045 C\n0.458251 0.489978 0.402756 C\n0.588718 0.449539 0.543861 C\n0.383266 0.660978 0.476973 C\n0.253458 0.706204 0.336648 C\n0.329455 0.553682 0.260457 C\n0.514783 0.619483 0.618200 C\n0.980471 0.302574 0.104099 O\n0.256914 0.724474 0.199069 O\n0.458203 0.261873 0.260684 O\n0.779068 0.765230 0.042507 O\n",
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{
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"created_at": "2022-09-04T14:38:41.389144Z",
"updated_at": "2022-09-04T14:38:41.389171Z",
"structure_string": "Li8 V4 O8 F4\n1.0\n5.010987 -0.007105 1.228998\n1.098876 6.610153 -2.556925\n0.011811 -0.002695 6.372120\nLi V O F\n8 4 8 4\ndirect\n0.168892 0.830418 0.508094 Li\n0.668892 0.330416 0.008093 Li\n0.998713 0.001836 0.995028 Li\n0.498714 0.501833 0.495027 Li\n0.543403 0.895454 0.752488 Li\n0.043404 0.395452 0.252486 Li\n0.837645 0.172214 0.493199 Li\n0.337645 0.672213 0.993199 Li\n0.754907 0.747387 0.260194 V\n0.944790 0.602310 0.740097 V\n0.254906 0.247388 0.760194 V\n0.444796 0.102312 0.240098 V\n0.835842 0.666157 0.503552 O\n0.335840 0.166156 0.003549 O\n0.495848 0.003237 0.489447 O\n0.995851 0.503239 0.989446 O\n0.734114 0.242360 0.249364 O\n0.234118 0.742363 0.749364 O\n0.170307 0.331718 0.506819 O\n0.670310 0.831714 0.006816 O\n0.932947 0.094246 0.744497 F\n0.082588 0.912669 0.257235 F\n0.582589 0.412673 0.757237 F\n0.432948 0.594249 0.244498 F\n",
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{
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"updated_at": "2022-09-04T14:38:46.903586Z",
"structure_string": "Li3 Fe5 Co2 O12\n1.0\n4.932034 0.014927 0.447827\n-2.605264 4.187813 0.447827\n-0.012315 -0.022245 9.514218\nLi Fe Co O\n3 5 2 12\ndirect\n0.673024 0.841862 0.744135 Li\n0.158139 0.326977 0.255866 Li\n0.076750 0.923250 0.500000 Li\n0.923478 0.076522 0.000000 Fe\n-0.005582 0.518292 0.736367 Fe\n0.481708 0.005583 0.263633 Fe\n0.582504 0.417496 0.000000 Fe\n0.423013 0.576988 0.500000 Fe\n0.746754 0.253246 0.500000 Co\n0.249440 0.750560 0.000000 Co\n0.035611 0.229886 0.614744 O\n0.394430 0.860254 0.613098 O\n0.222403 0.046717 0.113192 O\n0.537423 0.714630 0.107919 O\n0.770114 0.964389 0.385256 O\n0.874850 0.362313 0.107207 O\n0.953283 0.777598 0.886809 O\n0.705571 0.536125 0.614880 O\n0.637687 0.125151 0.892794 O\n0.285370 0.462578 0.892082 O\n0.463876 0.294429 0.385121 O\n0.139746 0.605570 0.386902 O\n",
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]
}