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{
"id": "jvasp-114726",
"created_at": "2022-09-04T14:38:42.425997Z",
"updated_at": "2022-09-04T14:38:42.426025Z",
"structure_string": "Ca1 O1\n1.0\n3.769803 0.000000 0.000000\n-1.884902 3.264745 -0.000000\n-0.000000 -0.000000 4.436912\nCa O\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333335 0.666668 0.000000 O\n",
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{
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"structure_string": "Al2 Co4 S8\n1.0\n5.942643 -0.002016 -3.189672\n-1.980837 5.478406 -3.398878\n-0.030932 0.002016 6.744483\nAl Co S\n2 4 8\ndirect\n0.500000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Co\n0.499999 0.500000 -0.000000 Co\n0.500000 -0.000000 -0.000000 Co\n0.000000 0.500001 0.500000 Co\n0.725523 0.253821 0.471702 S\n0.738076 0.726266 0.488189 S\n0.282119 0.253821 0.028298 S\n0.261924 0.750114 0.988190 S\n0.717881 0.746180 0.971702 S\n0.261924 0.273734 0.511810 S\n0.738076 0.249886 0.011810 S\n0.274477 0.746180 0.528298 S\n",
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"structure_string": "Ba2 Cl2\n1.0\n6.527046 -0.926006 -0.090232\n-0.746001 -5.153206 -0.375487\n-0.387998 -2.245423 -4.717942\nBa Cl\n2 2\ndirect\n0.097297 0.129187 0.815334 Ba\n0.569824 0.797092 0.479659 Ba\n0.050995 0.796433 0.480686 Cl\n0.321807 0.463500 0.147303 Cl\n",
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{
"id": "jvasp-112077",
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"updated_at": "2022-09-04T14:38:42.435116Z",
"structure_string": "Sn1 H10 C6 O6\n1.0\n4.876555 -0.044580 1.051379\n0.176154 5.295751 0.871082\n0.153592 -0.258331 8.275980\nSn H C O\n1 10 6 6\ndirect\n0.603698 0.697685 0.697275 Sn\n0.880299 0.032965 0.043654 H\n0.007345 0.850924 0.202065 H\n0.607942 0.515328 0.170246 H\n0.268076 0.603824 0.269531 H\n0.199007 0.140305 0.401620 H\n0.503040 0.070118 0.252629 H\n0.970963 0.343850 0.196190 H\n0.774135 0.136153 0.658696 H\n0.634376 0.295430 0.890874 H\n0.262169 0.351684 0.032954 H\n0.065325 0.995820 0.093709 C\n0.439179 0.469242 0.279394 C\n0.330268 0.206033 0.279277 C\n0.277607 0.884845 0.960909 C\n0.522656 0.525503 0.432828 C\n0.156448 0.234250 0.146428 C\n0.332285 0.550725 0.566066 O\n0.756294 0.017889 0.579227 O\n0.765965 0.382548 0.796966 O\n0.535530 0.902777 0.947067 O\n0.198152 0.768625 0.853263 O\n0.768735 0.573386 0.435362 O\n",
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"formula_full": "Sn1 H10 C6 O6",
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{
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"created_at": "2022-09-04T14:38:42.438489Z",
"updated_at": "2022-09-04T14:38:42.438518Z",
"structure_string": "Li4 Ti2 Co6 O16\n1.0\n5.689063 0.020696 -0.059405\n2.827041 4.937322 0.014481\n0.096196 -0.082020 9.204857\nLi Ti Co O\n4 2 6 16\ndirect\n0.666671 0.666676 0.893120 Li\n0.333312 0.333342 0.393124 Li\n0.000035 0.000007 0.998012 Li\n0.999904 0.000053 0.498006 Li\n0.666608 0.666699 0.495454 Ti\n0.333356 0.333340 0.995452 Ti\n0.830128 0.830111 0.215014 Co\n0.660208 0.169896 0.715022 Co\n0.830125 0.339779 0.215018 Co\n0.169858 0.660243 0.715014 Co\n0.339776 0.830118 0.215015 Co\n0.169853 0.169903 0.715015 Co\n0.835446 0.329054 0.599903 O\n0.481604 0.036765 0.835267 O\n0.963235 0.518391 0.335275 O\n0.036750 0.481622 0.835266 O\n0.518385 0.963247 0.335264 O\n0.671003 0.164503 0.099890 O\n-0.000011 0.000001 0.807326 O\n0.164526 0.670977 0.099896 O\n0.333309 0.333348 0.609473 O\n0.666671 0.666669 0.109476 O\n0.481614 0.481634 0.835264 O\n0.518381 0.518371 0.335264 O\n0.164523 0.164531 0.099906 O\n0.328963 0.835522 0.599883 O\n0.000013 0.000001 0.307325 O\n0.835448 0.835503 0.599904 O\n",
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"created_at": "2022-09-04T14:38:42.438881Z",
"updated_at": "2022-09-04T14:38:42.438919Z",
"structure_string": "Rb2 Tb2 W4 O16\n1.0\n6.644856 -0.057339 3.518036\n-1.641615 6.439138 3.518036\n-0.045114 -0.057544 7.573738\nTb Rb W O\n2 2 4 16\ndirect\n0.772171 0.227831 0.750000 Tb\n0.227830 0.772170 0.250000 Tb\n0.199575 0.800426 0.750000 Rb\n0.800426 0.199574 0.250000 Rb\n0.698238 0.693106 0.769799 W\n0.301763 0.306895 0.230201 W\n0.306895 0.301763 0.730201 W\n0.693105 0.698238 0.269799 W\n0.207048 0.046440 0.308810 O\n0.792952 0.953561 0.691190 O\n0.368308 0.585259 0.471060 O\n0.631693 0.414742 0.528941 O\n0.414741 0.631693 0.028941 O\n0.585259 0.368308 0.971060 O\n0.065837 0.384695 0.371347 O\n0.759726 0.618770 0.058791 O\n0.615305 0.934164 0.128654 O\n0.384695 0.065837 0.871347 O\n0.046440 0.207049 0.808810 O\n0.240275 0.381231 0.941210 O\n0.381230 0.240275 0.441210 O\n0.618770 0.759726 0.558791 O\n0.934164 0.615306 0.628654 O\n0.953561 0.792952 0.191191 O\n",
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{
"id": "jvasp-112707",
"created_at": "2022-09-04T14:38:42.438900Z",
"updated_at": "2022-09-04T14:38:42.438931Z",
"structure_string": "Ba6 Bi2 Ru2 Ir2 O18\n1.0\n5.971137 0.003761 0.120662\n-2.966902 5.181890 0.120662\n-0.034362 -0.059312 14.895155\nBa Bi Ru Ir O\n6 2 2 2 18\ndirect\n0.340109 0.673799 0.405803 Ba\n0.325729 0.656831 0.096403 Ba\n0.656832 0.325728 0.596403 Ba\n0.673799 0.340108 0.905803 Ba\n0.994255 0.006292 0.249945 Ba\n0.006293 0.994255 0.749945 Ba\n0.998617 0.999405 0.500661 Bi\n0.999406 0.998615 0.000661 Bi\n0.681453 0.350966 0.335153 Ru\n0.350967 0.681453 0.835153 Ru\n0.649405 0.319218 0.166281 Ir\n0.319218 0.649404 0.666281 Ir\n0.504165 0.026740 0.262792 O\n0.974912 0.497501 0.239977 O\n0.494756 0.508687 0.751445 O\n0.508687 0.494755 0.251445 O\n0.213083 0.866212 0.902987 O\n0.132192 0.787653 0.593966 O\n0.787653 0.132191 0.093966 O\n0.866212 0.213082 0.402987 O\n0.597949 0.786585 0.570430 O\n0.134564 0.318836 0.601044 O\n0.318836 0.134563 0.101044 O\n0.861937 0.677305 0.397033 O\n0.216890 0.403964 0.926075 O\n0.026741 0.504165 0.762792 O\n0.786586 0.597948 0.070430 O\n0.403964 0.216890 0.426075 O\n0.677306 0.861937 0.897033 O\n0.497502 0.974911 0.739977 O\n",
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{
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"structure_string": "Ba1 O3\n1.0\n4.264211 -0.930223 0.401143\n0.819642 -3.787508 -0.452435\n-0.563454 2.574482 -3.724310\nBa O\n1 3\ndirect\n0.324432 0.326054 0.600258 Ba\n0.015515 0.119562 0.901314 O\n0.625831 0.506261 0.291101 O\n0.838944 0.542467 0.117308 O\n",
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"structure_string": "Na1 Nb1 F4\n1.0\n-2.113024 2.113024 5.263254\n2.113024 -2.113024 5.263254\n2.113024 2.113024 -5.263254\nNa Nb F\n1 1 4\ndirect\n0.250000 0.749999 0.499999 Na\n0.500000 0.500000 0.000000 Nb\n0.303938 0.303938 0.000000 F\n0.696061 0.696061 0.000000 F\n0.489553 0.989552 0.499999 F\n0.010447 0.510446 0.499999 F\n",
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"structure_string": "Ga1 I2\n1.0\n7.223607 -0.324351 0.777280\n1.067704 -3.968184 -0.534772\n1.525205 -1.262648 -3.637035\nGa I\n1 2\ndirect\n0.035845 0.904986 0.064277 Ga\n0.299149 0.150929 0.309257 I\n0.772580 0.659241 0.819116 I\n",
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"structure_string": "Cd1 As1 I2\n1.0\n4.459118 0.000000 0.000000\n0.000000 4.459118 0.000000\n0.000000 0.000000 6.325993\nCd As I\n1 1 2\ndirect\n0.500000 0.500000 0.502368 Cd\n0.000000 0.000000 0.002573 As\n0.000000 0.000000 0.502588 I\n0.500000 0.500000 0.002472 I\n",
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}