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{
"id": "jvasp-117129",
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"structure_string": "Li1 Cr1 P2 S7\n1.0\n6.383617 0.089057 0.886153\n-0.894540 6.321257 0.886153\n0.056623 0.066126 6.260678\nLi Cr P S\n1 1 2 7\ndirect\n0.750280 0.249721 0.500000 Li\n0.516388 0.483613 -0.000001 Cr\n0.965044 0.627990 0.075642 P\n0.372011 0.034958 0.924357 P\n0.878241 0.506935 0.813110 S\n0.516267 0.822882 0.765681 S\n0.684376 0.603152 0.285804 S\n0.034620 0.965381 -0.000001 S\n0.396848 0.315625 0.714195 S\n0.177119 0.483733 0.234318 S\n0.493067 0.121760 0.186889 S\n",
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{
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"structure_string": "Y6 S2 O2 F10\n1.0\n3.668947 0.000000 0.000000\n0.000000 8.129749 4.596556\n0.000000 -0.004691 9.394382\nY S O F\n6 2 2 10\ndirect\n0.000000 0.584440 0.133004 Y\n0.000000 0.131974 0.270400 Y\n0.000000 0.298470 0.585251 Y\n0.500000 0.403438 0.896187 Y\n0.500000 0.877311 0.715378 Y\n0.500000 0.704916 0.402890 Y\n0.000000 0.670873 0.667653 S\n0.500000 0.326946 0.337962 S\n0.000000 0.383802 0.051655 O\n0.000000 0.563781 0.387363 O\n0.500000 0.622745 0.952658 F\n0.000000 0.843786 0.881001 F\n0.000000 0.887367 0.272913 F\n0.000000 0.272146 0.839275 F\n0.500000 0.143110 0.116805 F\n0.500000 0.120417 0.717448 F\n0.500000 0.731529 0.147829 F\n0.000000 0.047006 0.566047 F\n0.500000 0.430552 0.626181 F\n0.500000 0.955391 0.432101 F\n",
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{
"id": "jvasp-112120",
"created_at": "2022-09-04T14:38:41.660279Z",
"updated_at": "2022-09-04T14:38:41.660304Z",
"structure_string": "Sn2 H8 C4 Cl4\n1.0\n4.382511 -0.003498 -0.365784\n-2.175407 5.612800 -1.495119\n-0.004159 0.044147 10.204196\nSn H C Cl\n2 8 4 4\ndirect\n0.002105 0.084060 0.276249 Sn\n0.044147 0.954256 0.759880 Sn\n0.803409 0.145389 0.588064 H\n0.055252 0.770974 0.970085 H\n0.991071 0.267353 0.066040 H\n0.242913 0.892955 0.448061 H\n0.362552 0.209604 0.523711 H\n0.681784 0.825047 0.947370 H\n0.364523 0.213262 0.088764 H\n0.683745 0.828739 0.512409 H\n0.888690 0.996995 0.558669 C\n0.157619 0.041341 0.477454 C\n0.948489 0.905064 0.962009 C\n0.097811 0.133249 0.074119 C\n0.592904 0.273070 0.836567 Cl\n0.267748 0.636453 0.686152 Cl\n0.778558 0.401886 0.349966 Cl\n0.453380 0.765244 0.199555 Cl\n",
"nsites": 18,
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],
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{
"id": "jvasp-106223",
"created_at": "2022-09-04T14:38:39.540587Z",
"updated_at": "2022-09-04T14:38:39.540604Z",
"structure_string": "Na2 In1 Ga1 F6\n1.0\n5.439376 0.000000 3.140425\n1.813125 5.128294 3.140425\n-0.000000 0.000000 6.280850\nNa In Ga F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750001 0.749999 0.750001 Na\n0.500001 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ga\n0.264197 0.264197 0.735803 F\n0.264198 0.735803 0.735804 F\n0.735804 0.735803 0.264198 F\n0.264198 0.735803 0.264197 F\n0.735804 0.264197 0.735804 F\n0.735804 0.264197 0.264197 F\n",
"nsites": 10,
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{
"id": "jvasp-112500",
"created_at": "2022-09-04T14:38:40.844137Z",
"updated_at": "2022-09-04T14:38:40.844155Z",
"structure_string": "Li4 Mn1 Co3 O8\n1.0\n2.847261 -0.019640 0.087023\n0.005482 4.868069 0.856326\n-0.293280 0.046032 9.451220\nLi Mn Co O\n4 1 3 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.500012 0.745958 0.247883 Li\n-0.000000 0.500000 0.500000 Li\n0.499987 0.254042 0.752117 Li\n0.500000 -0.000000 0.500000 Mn\n-0.000018 0.751840 0.751134 Co\n0.499999 0.500000 0.000000 Co\n0.000017 0.248160 0.248866 Co\n0.500153 0.850745 0.871015 O\n0.000207 0.596544 0.119933 O\n0.500175 0.349871 0.371038 O\n0.000184 0.107964 0.620939 O\n0.499845 0.149255 0.128985 O\n0.999815 0.892036 0.379061 O\n0.499824 0.650128 0.628962 O\n-0.000208 0.403456 0.880068 O\n",
"nsites": 16,
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{
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"created_at": "2022-09-04T14:38:39.471991Z",
"updated_at": "2022-09-04T14:38:39.472003Z",
"structure_string": "K2 Li1 Ga1 F6\n1.0\n4.882862 0.000000 2.819121\n1.627620 4.603606 2.819121\n0.000000 0.000000 5.638243\nK Li Ga F\n2 1 1 6\ndirect\n0.749999 0.750001 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Ga\n0.758424 0.241575 0.241575 F\n0.241575 0.241575 0.758424 F\n0.241575 0.758426 0.758424 F\n0.241575 0.758426 0.241575 F\n0.758424 0.241575 0.758424 F\n0.758424 0.758426 0.241575 F\n",
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],
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"density_atomic": 0.07890120080136968,
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"formula_full": "K2 Li1 Ga1 F6",
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"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-112013",
"created_at": "2022-09-04T14:38:41.016630Z",
"updated_at": "2022-09-04T14:38:41.016653Z",
"structure_string": "Zn1 H2 C3 O4\n1.0\n4.431990 -0.361678 1.841441\n2.182701 4.167497 -0.057615\n0.177126 -0.262143 5.810729\nZn H C O\n1 2 3 4\ndirect\n0.178622 0.751172 0.602752 Zn\n0.376347 0.497211 0.019623 H\n0.296552 0.211793 0.197742 H\n0.864378 0.632112 0.303217 C\n0.200039 0.388496 0.099801 C\n0.156777 0.235162 0.891204 C\n0.606046 0.631325 0.290210 O\n0.844412 0.818293 0.478853 O\n0.119495 0.980225 0.916877 O\n0.155468 0.352779 0.698685 O\n",
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{
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"created_at": "2022-09-04T14:38:32.517301Z",
"updated_at": "2022-09-04T14:38:32.517316Z",
"structure_string": "Ti2 Zn2 P2 O10\n1.0\n5.161547 -0.080706 -0.103230\n-0.886769 5.535033 0.022630\n-1.952249 -2.287592 6.510370\nTi Zn P O\n2 2 2 10\ndirect\n0.499530 0.000352 0.499952 Ti\n0.499532 0.000338 -0.000043 Ti\n0.218139 0.338697 0.716803 Zn\n0.780920 0.661973 0.283121 Zn\n0.820217 0.641788 0.759941 P\n0.178848 0.358911 0.239975 P\n0.574427 0.639236 0.848151 O\n0.759764 0.765456 0.588664 O\n0.424634 0.361445 0.151759 O\n0.239314 0.235259 0.411259 O\n0.170135 0.643712 0.341235 O\n0.897672 0.226237 0.067026 O\n0.828934 0.356989 0.658667 O\n0.101387 0.774457 0.932895 O\n0.621091 0.943984 0.263001 O\n0.377989 0.056697 0.736911 O\n",
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{
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"created_at": "2022-09-04T14:38:41.676618Z",
"updated_at": "2022-09-04T14:38:41.676641Z",
"structure_string": "Lu4 Be4 Ge2 O14\n1.0\n7.321962 0.000000 -0.000000\n0.000000 7.321962 0.000000\n0.000000 -0.000000 4.750304\nLu Be Ge O\n4 4 2 14\ndirect\n0.157198 0.342802 0.506959 Lu\n0.842801 0.657198 0.506959 Lu\n0.657198 0.157198 0.493040 Lu\n0.342802 0.842801 0.493040 Lu\n0.636347 0.863652 0.947146 Be\n0.363653 0.136347 0.947146 Be\n0.136347 0.636347 0.052853 Be\n0.863652 0.363653 0.052853 Be\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.000000 Ge\n0.583734 0.670494 0.773725 O\n0.829505 0.916266 0.773725 O\n0.416266 0.329505 0.773725 O\n0.170495 0.083734 0.773725 O\n0.916266 0.170495 0.226274 O\n0.083734 0.829505 0.226274 O\n0.500000 0.000000 0.804333 O\n0.142530 0.642529 0.718052 O\n0.357470 0.142530 0.281947 O\n0.642529 0.857470 0.281947 O\n0.329505 0.583734 0.226274 O\n0.000000 0.500000 0.195667 O\n0.857470 0.357470 0.718052 O\n0.670494 0.416266 0.226274 O\n",
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{
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"created_at": "2022-09-04T14:38:45.894554Z",
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"structure_string": "Mg2 In3 Mo1 S8\n1.0\n6.585139 0.000219 3.802153\n2.194779 6.231991 3.801884\n-0.000080 0.000115 7.604017\nMg In Mo S\n2 3 1 8\ndirect\n0.874551 0.876357 0.874546 Mg\n0.125454 0.123644 0.125450 Mg\n0.500000 0.500006 0.499992 In\n0.499999 0.499994 0.000002 In\n-0.000001 0.499999 0.500004 In\n0.500001 -0.000000 0.500002 Mo\n0.734041 0.757831 0.734044 S\n0.265952 0.242177 0.725914 S\n0.256405 0.730794 0.256401 S\n0.725917 0.242177 0.265949 S\n0.743592 0.269208 0.743593 S\n0.274086 0.757822 0.734050 S\n0.265956 0.242164 0.265965 S\n0.734052 0.757828 0.274083 S\n",
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{
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"created_at": "2022-09-04T14:38:40.991686Z",
"updated_at": "2022-09-04T14:38:40.991728Z",
"structure_string": "Li1 Fe1 P3 O9\n1.0\n5.973410 -0.018802 -1.913036\n-2.573318 5.401571 -1.868322\n0.005957 -0.014370 6.263715\nLi Fe P O\n1 1 3 9\ndirect\n0.373472 0.373084 0.373113 Li\n0.989832 0.990621 0.990141 Fe\n0.037783 0.912727 0.486518 P\n0.913114 0.486786 0.037079 P\n0.487046 0.038348 0.914300 P\n0.266706 0.866113 0.639604 O\n0.091524 0.386096 0.134394 O\n0.637282 0.899810 0.968480 O\n0.897780 0.964676 0.635289 O\n0.135565 0.090865 0.385738 O\n0.866867 0.638348 0.266360 O\n0.386093 0.135757 0.091782 O\n0.964441 0.636209 0.897017 O\n0.638488 0.266549 0.866179 O\n",
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{
"id": "jvasp-112185",
"created_at": "2022-09-04T14:38:45.896689Z",
"updated_at": "2022-09-04T14:38:45.896707Z",
"structure_string": "Cd1 H18 C11 O4\n1.0\n3.858700 -0.028515 0.387548\n1.640046 4.159224 0.499010\n0.177804 -0.021064 16.977612\nCd H C O\n1 18 11 4\ndirect\n0.117390 -0.019451 0.847087 Cd\n0.694000 0.683653 0.501603 H\n0.677231 0.178666 0.580595 H\n0.350768 0.419378 0.128432 H\n0.813674 0.253939 0.272172 H\n0.326674 0.384420 0.274496 H\n0.760761 0.212801 0.425714 H\n0.275144 0.344789 0.423798 H\n0.209205 0.822677 0.497326 H\n0.838559 0.297600 0.119484 H\n0.823569 0.160673 0.005814 H\n0.396643 0.980175 0.047915 H\n0.799780 0.765565 0.191856 H\n0.311468 0.901229 0.196674 H\n0.761645 0.722988 0.347153 H\n0.274708 0.860469 0.347302 H\n0.585799 0.659684 0.656413 H\n0.110279 0.799742 0.644627 H\n0.194783 0.309008 0.573249 H\n0.693648 0.624570 0.972230 C\n0.560373 0.725601 0.045421 C\n0.581120 0.512144 0.121094 C\n0.563765 0.682507 0.195571 C\n0.559366 0.471090 0.272581 C\n0.423984 0.395048 0.576058 C\n0.507226 0.430494 0.424349 C\n0.459429 0.602205 0.499827 C\n0.356908 0.578600 0.650104 C\n0.288060 0.396859 0.727147 C\n0.526121 0.640823 0.347752 C\n0.886882 0.297511 0.961713 O\n0.352850 0.460593 0.794359 O\n0.158174 0.176610 0.722521 O\n0.668644 0.804019 0.904315 O\n",
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}
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}