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{
"id": "jvasp-101953",
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"updated_at": "2022-09-04T14:36:48.809505Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n3.680895 0.011926 0.568592\n0.566254 4.596899 0.294179\n0.002448 0.189200 8.484860\nCd H C O\n1 6 5 4\ndirect\n0.684764 0.664970 0.205333 Cd\n0.173531 0.014901 0.471935 H\n0.540662 0.169811 0.520400 H\n0.309984 0.849813 0.741458 H\n0.445478 0.312671 0.847460 H\n0.854853 0.000652 0.737237 H\n0.982277 0.460050 0.848848 H\n0.050632 0.460922 0.498881 C\n0.244125 0.170576 0.550722 C\n0.136159 0.056566 0.723211 C\n0.165675 0.255197 0.856421 C\n0.064603 0.088537 0.014072 C\n0.156527 0.560128 0.348686 O\n0.785507 0.588499 0.581496 O\n0.800596 0.189736 0.118112 O\n0.218967 0.826042 0.035773 O\n",
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"structure_string": "La1 Ce1 Mn2 O6\n1.0\n4.794421 -0.001627 2.635776\n1.558045 4.534200 2.635776\n-0.002281 -0.001627 5.471177\nLa Ce Mn O\n1 1 2 6\ndirect\n0.500001 0.499999 0.500001 La\n0.000000 0.000000 0.000000 Ce\n0.750153 0.750151 0.750153 Mn\n0.249849 0.249848 0.249849 Mn\n0.065996 0.934005 0.500001 O\n0.500000 0.065994 0.934006 O\n0.934006 0.499999 0.065996 O\n0.000001 0.422861 0.577139 O\n0.577138 -0.000001 0.422863 O\n0.422862 0.577138 0.000001 O\n",
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{
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"updated_at": "2022-09-04T14:36:59.038702Z",
"structure_string": "Li5 Mn1 O1 F5\n1.0\n3.223243 -0.000060 0.000051\n-1.611673 2.791500 -0.000000\n0.000184 0.000106 14.643029\nLi Mn O F\n5 1 1 5\ndirect\n0.333387 0.666744 0.338543 Li\n0.333362 0.666732 0.657778 Li\n0.666664 0.333382 0.178831 Li\n0.666713 0.333408 0.498187 Li\n0.666607 0.333355 0.818785 Li\n0.333230 0.666666 0.991820 Mn\n0.666583 0.333343 0.952937 O\n0.333402 0.666752 0.465728 F\n0.333348 0.666725 0.146933 F\n0.333301 0.666702 0.785066 F\n0.666710 0.333406 0.306040 F\n0.666691 0.333397 0.625353 F\n",
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"volume": 131.7519146570089,
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{
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"created_at": "2022-09-04T14:36:49.812650Z",
"updated_at": "2022-09-04T14:36:49.812670Z",
"structure_string": "Tl2 Bi1 Sb1 Te4\n1.0\n4.532570 0.000000 0.000000\n0.000000 7.459808 2.452505\n0.000000 0.020954 8.314513\nTl Bi Sb Te\n2 1 1 4\ndirect\n0.000000 0.500000 0.500000 Tl\n0.500000 -0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 -0.000000 Sb\n0.500000 0.754071 0.224407 Te\n0.000000 0.263808 0.221764 Te\n0.500000 0.245929 0.775592 Te\n0.000000 0.736192 0.778235 Te\n",
"nsites": 8,
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{
"id": "jvasp-102304",
"created_at": "2022-09-04T14:36:42.419404Z",
"updated_at": "2022-09-04T14:36:42.419427Z",
"structure_string": "Rb2 Li1 Yb1 Cl6\n1.0\n6.281352 -0.000000 3.626541\n2.093784 5.922116 3.626541\n-0.000000 -0.000000 7.253081\nYb Rb Li Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Yb\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750001 0.750000 Rb\n0.499999 0.500000 0.500000 Li\n0.742020 0.257979 0.257979 Cl\n0.257978 0.742021 0.742021 Cl\n0.257978 0.742021 0.257979 Cl\n0.742020 0.257979 0.742021 Cl\n0.257979 0.257979 0.742021 Cl\n0.742020 0.742021 0.257979 Cl\n",
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{
"id": "jvasp-11367",
"created_at": "2022-09-04T14:37:05.149873Z",
"updated_at": "2022-09-04T14:37:05.149904Z",
"structure_string": "Ba2 Er2 Cu2 S6\n1.0\n3.999366 0.000000 0.000000\n-1.999684 6.753793 0.000000\n-0.000000 -0.000000 10.132289\nBa Er Cu S\n2 2 2 6\ndirect\n0.744196 0.488390 0.250000 Ba\n0.255806 0.511609 0.750000 Ba\n0.000000 0.000000 0.500000 Er\n0.000000 0.000000 0.000000 Er\n0.532970 0.065939 0.750000 Cu\n0.467032 0.934060 0.250000 Cu\n0.934333 0.868661 0.750000 S\n0.065669 0.131338 0.250000 S\n0.631732 0.263463 0.559492 S\n0.631732 0.263463 0.940509 S\n0.368270 0.736537 0.059492 S\n0.368270 0.736537 0.440508 S\n",
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{
"id": "jvasp-107408",
"created_at": "2022-09-04T14:36:51.320586Z",
"updated_at": "2022-09-04T14:36:51.320606Z",
"structure_string": "Rb2 Er1 Cu1 Cl6\n1.0\n6.266784 -0.000000 3.618130\n2.088928 5.908381 3.618130\n-0.000000 -0.000000 7.236259\nRb Er Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Cu\n0.746424 0.253575 0.253576 Cl\n0.253575 0.253575 0.746425 Cl\n0.253576 0.746424 0.746425 Cl\n0.253576 0.746424 0.253576 Cl\n0.746424 0.253575 0.746425 Cl\n0.746424 0.746424 0.253576 Cl\n",
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{
"id": "jvasp-104787",
"created_at": "2022-09-04T14:36:48.763451Z",
"updated_at": "2022-09-04T14:36:48.763486Z",
"structure_string": "K1 Ni1 I1 O6\n1.0\n5.022174 -0.000000 0.000000\n-2.511088 4.349330 0.000000\n-0.000000 0.000000 5.960783\nK Ni I O\n1 1 1 6\ndirect\n0.000000 0.000000 0.000000 K\n0.333333 0.666667 0.500000 Ni\n0.666666 0.333333 0.500000 I\n0.374345 0.995978 0.679821 O\n0.004022 0.378369 0.679821 O\n0.621630 0.625654 0.679821 O\n0.004022 0.625654 0.320179 O\n0.621630 0.995978 0.320179 O\n0.374346 0.378369 0.320179 O\n",
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{
"id": "jvasp-104501",
"created_at": "2022-09-04T14:37:05.304223Z",
"updated_at": "2022-09-04T14:37:05.304247Z",
"structure_string": "K2 Na1 Y1 Cl6\n1.0\n6.445021 -0.000000 3.721034\n2.148340 6.076424 3.721034\n-0.000000 -0.000000 7.442069\nK Na Y Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Y\n0.752326 0.247674 0.247673 Cl\n0.247674 0.247674 0.752326 Cl\n0.247674 0.752326 0.752326 Cl\n0.247674 0.752326 0.247674 Cl\n0.752326 0.247674 0.752326 Cl\n0.752326 0.752326 0.247673 Cl\n",
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{
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"created_at": "2022-09-04T14:36:48.720818Z",
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"structure_string": "B4 H16 O8 F12\n1.0\n5.450083 0.000000 0.046970\n0.000000 7.260109 0.000000\n0.116340 0.000000 8.595550\nB H O F\n4 16 8 12\ndirect\n0.263625 0.305807 0.918625 B\n0.736375 0.805807 0.581375 B\n0.736375 0.694193 0.081375 B\n0.263625 0.194193 0.418625 B\n0.168277 0.936673 0.840873 H\n0.168277 0.563327 0.340873 H\n0.831722 0.063327 0.159127 H\n0.910783 0.225683 0.657817 H\n0.089217 0.725683 0.842183 H\n0.089217 0.774318 0.342183 H\n0.910783 0.274317 0.157817 H\n0.831722 0.436673 0.659127 H\n0.374845 0.739290 0.181773 H\n0.374845 0.760710 0.681773 H\n0.625154 0.260710 0.818227 H\n0.615562 0.282483 0.515193 H\n0.384437 0.782483 0.984807 H\n0.384437 0.717517 0.484807 H\n0.615562 0.217517 0.015193 H\n0.625154 0.239290 0.318228 H\n0.767502 0.308721 0.664468 O\n0.232498 0.808721 0.835532 O\n0.767502 0.191279 0.164468 O\n0.232498 0.691280 0.335532 O\n0.481991 0.772505 0.085691 O\n0.481991 0.727495 0.585691 O\n0.518008 0.227495 0.914309 O\n0.518008 0.272505 0.414309 O\n0.906348 0.841186 0.102809 F\n0.244663 0.431831 0.797070 F\n0.755337 0.931831 0.702930 F\n0.755337 0.568169 0.202930 F\n0.244663 0.068169 0.297070 F\n0.216433 0.385997 0.065163 F\n0.783567 0.885997 0.434837 F\n0.783567 0.614003 0.934837 F\n0.216433 0.114003 0.565163 F\n0.093651 0.158814 0.897191 F\n0.906348 0.658815 0.602809 F\n0.093651 0.341186 0.397191 F\n",
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"created_at": "2022-09-04T14:37:04.042723Z",
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"structure_string": "Zn1 H4 C4 O4\n1.0\n3.606115 -0.051682 0.104947\n-0.386197 4.595353 -1.060417\n0.767337 0.386479 7.279930\nZn H C O\n1 4 4 4\ndirect\n0.480453 0.603748 0.280277 Zn\n0.950196 0.064489 0.767964 H\n0.399970 0.162735 0.829201 H\n0.809549 0.550736 0.776367 H\n0.282956 0.666228 0.717951 H\n0.349966 0.136274 0.538876 C\n0.197468 0.214609 0.743282 C\n0.096368 0.528720 0.800894 C\n0.150377 0.623434 0.003189 C\n0.522763 0.904184 0.498911 O\n0.292437 0.287488 0.421984 O\n0.414313 0.807423 0.049331 O\n-0.033531 0.481791 0.130066 O\n",
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{
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}