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"structure_string": "Na2 Dy2 Ti4 O12\n1.0\n5.304334 -0.000000 0.000000\n0.000000 5.517496 0.000000\n-0.000000 -0.000000 7.598559\nNa Dy Ti O\n2 2 4 12\ndirect\n0.495316 0.715188 0.500000 Na\n0.995316 0.284813 -0.000000 Na\n0.015917 0.178714 0.500000 Dy\n0.515916 0.821287 -0.000000 Dy\n0.512142 0.265210 0.752505 Ti\n0.012142 0.734790 0.252505 Ti\n0.512142 0.265210 0.247495 Ti\n0.012142 0.734790 0.747495 Ti\n0.689871 0.556360 0.197954 O\n0.782629 0.039794 0.790538 O\n0.689871 0.556360 0.802046 O\n0.782629 0.039794 0.209463 O\n0.282630 0.960207 0.290538 O\n0.599228 0.276468 0.500000 O\n0.420251 0.227111 -0.000000 O\n0.099229 0.723533 -0.000000 O\n0.189871 0.443641 0.302046 O\n0.920250 0.772890 0.500000 O\n0.189871 0.443641 0.697954 O\n0.282630 0.960207 0.709463 O\n",
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{
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{
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"updated_at": "2022-09-04T14:38:29.313995Z",
"structure_string": "Mg2 Bi4 O10\n1.0\n3.634021 0.014374 0.004079\n-0.020185 5.145687 0.023314\n-0.013142 -0.054540 11.893595\nMg Bi O\n2 4 10\ndirect\n0.812683 0.293837 0.775284 Mg\n0.312590 0.704834 0.275302 Mg\n0.312583 0.705149 0.946122 Bi\n0.812627 0.261461 0.139126 Bi\n0.812693 0.293481 0.446112 Bi\n0.312664 0.737195 0.639121 Bi\n0.812601 0.542695 0.276104 O\n0.312678 0.455967 0.776095 O\n0.812642 0.421508 0.949008 O\n0.312616 0.505103 0.112474 O\n0.812675 0.493541 0.612470 O\n0.312645 0.577119 0.449007 O\n0.312703 0.084467 0.549870 O\n0.312574 0.086441 0.242995 O\n0.812580 0.914149 0.049895 O\n0.812698 0.912228 0.742984 O\n",
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{
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"structure_string": "Tc12 P4\n1.0\n4.602824 0.000000 1.611017\n2.301411 6.753575 0.805510\n0.070332 -0.000003 7.179915\nTc P\n12 4\ndirect\n0.348233 0.651738 0.651673 Tc\n0.000091 0.651674 0.348262 Tc\n0.000026 0.348327 0.651737 Tc\n0.651645 0.348263 0.348327 Tc\n0.909083 0.000076 0.591897 Tc\n0.499018 0.591898 0.999924 Tc\n0.090840 0.408104 0.000075 Tc\n0.501055 0.999926 0.408103 Tc\n0.091447 0.000017 0.197517 Tc\n0.711035 0.197517 -0.000016 Tc\n0.908535 0.802483 0.000017 Tc\n0.288980 -0.000016 0.802482 Tc\n0.209097 0.290871 0.290956 P\n0.499946 0.290956 0.709129 P\n0.500031 0.709045 0.290871 P\n0.790922 0.709130 0.709044 P\n",
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"structure_string": "K4 Be1 P2\n1.0\n5.283641 0.010900 7.231143\n2.368218 4.723191 7.231143\n0.017619 0.010900 8.955779\nK Be P\n4 1 2\ndirect\n0.623434 0.623434 0.623434 K\n0.376566 0.376566 0.376566 K\n0.791365 0.791365 0.791364 K\n0.208635 0.208635 0.208635 K\n0.000000 0.000000 0.000000 Be\n0.920606 0.920606 0.920605 P\n0.079394 0.079394 0.079394 P\n",
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{
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"created_at": "2022-09-04T14:36:36.162913Z",
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"structure_string": "Mg2 In2 S6\n1.0\n6.535558 0.031942 1.661808\n-3.904917 5.240818 1.661808\n-0.009381 -0.018802 6.458848\nMg In S\n2 2 6\ndirect\n0.670589 0.329410 0.000000 Mg\n0.329410 0.670590 0.000000 Mg\n0.835541 0.835541 0.349626 In\n0.164459 0.164459 0.650375 In\n0.514602 0.873059 0.262901 S\n0.485398 0.126942 0.737100 S\n0.126942 0.485398 0.737100 S\n0.873058 0.514602 0.262901 S\n0.751057 0.751058 0.774920 S\n0.248943 0.248943 0.225081 S\n",
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{
"id": "jvasp-57322",
"created_at": "2022-09-04T14:37:26.941087Z",
"updated_at": "2022-09-04T14:37:26.941123Z",
"structure_string": "Li2 Ca2 Cr2 F12\n1.0\n2.558332 -4.431162 0.000000\n2.558332 4.431162 0.000000\n0.000000 0.000000 9.811685\nLi Ca Cr F\n2 2 2 12\ndirect\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.250000 Cr\n0.333333 0.666667 0.750000 Cr\n0.363786 0.014030 0.139798 F\n0.014030 0.363786 0.639798 F\n0.650244 0.014030 0.360202 F\n0.636213 0.985969 0.860202 F\n0.985969 0.636213 0.360202 F\n0.349756 0.985969 0.639798 F\n0.014030 0.650244 0.860202 F\n0.636213 0.650243 0.639798 F\n0.985969 0.349756 0.139798 F\n0.650243 0.636213 0.139798 F\n0.363786 0.349756 0.360202 F\n0.349756 0.363786 0.860202 F\n",
"nsites": 18,
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{
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"created_at": "2022-09-04T14:37:10.919489Z",
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"structure_string": "Na4 Fe4 O8\n1.0\n5.385458 0.000000 0.000000\n0.000000 5.737595 0.000000\n0.000000 0.000000 7.199606\nNa Fe O\n4 4 8\ndirect\n0.487573 0.924139 0.378242 Na\n0.987573 0.075860 0.621758 Na\n0.987573 0.575860 0.878242 Na\n0.487573 0.424139 0.121758 Na\n-0.000441 0.568671 0.373498 Fe\n0.499559 0.431328 0.626503 Fe\n0.499559 0.931328 0.873498 Fe\n-0.000441 0.068672 0.126503 Fe\n0.918086 0.890340 0.341296 O\n0.418086 0.109659 0.658705 O\n0.418086 0.609659 0.841296 O\n0.918086 0.390340 0.158705 O\n0.349784 0.545694 0.406897 O\n0.849784 0.454305 0.593104 O\n0.849784 0.954304 0.906897 O\n0.349784 0.045695 0.093103 O\n",
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{
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"structure_string": "Cd1 H14 C9 O4\n1.0\n4.019901 0.110565 0.402712\n0.895008 4.249393 0.273169\n-0.085899 0.083105 13.094470\nCd H C O\n1 14 9 4\ndirect\n0.960363 0.093518 0.813894 Cd\n0.548927 0.171730 0.451171 H\n0.224701 0.769371 0.169128 H\n0.661677 0.718288 0.126766 H\n0.403143 0.715105 0.362869 H\n0.832440 0.666244 0.313927 H\n0.970108 0.116009 0.395295 H\n0.030929 0.591384 0.489706 H\n0.207748 0.271967 0.084499 H\n0.645560 0.206396 0.046651 H\n0.358022 0.243746 0.268261 H\n0.790333 0.186311 0.222931 H\n0.403944 0.819866 0.547618 H\n0.402274 0.461027 0.619053 H\n0.011441 0.244826 0.565270 H\n0.325087 0.570972 0.961015 C\n0.415006 0.394601 0.062229 C\n0.461366 0.589461 0.150586 C\n0.560537 0.371320 0.245060 C\n0.859995 0.437161 0.518287 C\n0.750461 0.297731 0.425972 C\n0.565220 0.619682 0.588556 C\n0.675341 0.743007 0.681683 C\n0.632968 0.535628 0.337405 C\n0.110337 0.841502 0.963044 O\n0.936344 0.588205 0.725935 O\n0.510644 0.013307 0.714537 O\n0.450052 0.438584 0.877841 O\n",
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{
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}