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{
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"structure_string": "Li4 Mn2 Cr3 Co3 O16\n1.0\n5.668435 -0.004395 0.005322\n2.804418 4.925991 0.003057\n0.027524 0.020142 9.214438\nLi Mn Cr Co O\n4 2 3 3 16\ndirect\n0.332180 0.332183 0.107943 Li\n0.006704 0.006832 0.004932 Li\n0.004622 0.004546 0.502502 Li\n0.665300 0.665329 0.601919 Li\n0.331980 0.331972 0.508379 Mn\n0.665133 0.665188 0.013149 Mn\n0.172445 0.654895 0.786312 Cr\n0.654815 0.172521 0.786310 Cr\n0.826549 0.826516 0.285890 Cr\n0.831000 0.341433 0.287124 Co\n0.171523 0.171596 0.786939 Co\n0.341467 0.830968 0.287125 Co\n0.834530 0.834613 0.902419 O\n0.334208 0.832976 0.901060 O\n0.663594 0.663563 0.396196 O\n0.960796 0.517432 0.156418 O\n0.517446 0.960801 0.156433 O\n0.167501 0.167469 0.399047 O\n0.477592 0.037984 0.656746 O\n0.480550 0.480626 0.655482 O\n0.668537 0.164711 0.401347 O\n0.001740 0.001697 0.193799 O\n0.001140 0.001223 0.692419 O\n0.332549 0.332622 0.900521 O\n0.520192 0.520161 0.162645 O\n0.164757 0.668489 0.401332 O\n0.037948 0.477650 0.656735 O\n0.832887 0.334306 0.901038 O\n",
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{
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"structure_string": "K1 Be2 B1 O3 F2\n1.0\n2.229664 3.861815 -0.017778\n-2.229664 3.861815 -0.017778\n0.000000 2.603120 6.097386\nK Be B O F\n1 2 1 3 2\ndirect\n0.007122 0.992877 -0.000000 K\n0.205238 0.190766 0.405990 Be\n0.809233 0.794761 0.594010 Be\n0.507258 0.492740 0.500000 B\n0.198386 0.801612 0.500000 O\n0.507260 0.183880 0.499975 O\n0.816119 0.492739 0.500025 O\n0.725154 0.710773 0.846086 F\n0.289226 0.274845 0.153914 F\n",
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{
"id": "jvasp-95696",
"created_at": "2022-09-04T14:35:55.662490Z",
"updated_at": "2022-09-04T14:35:55.662527Z",
"structure_string": "Ba10 Er4 Zr2 Al4 O26\n1.0\n5.987120 -0.000000 0.000000\n-2.993560 5.184998 -0.000000\n0.000000 -0.000000 25.064879\nBa Er Zr Al O\n10 4 2 4 26\ndirect\n0.000000 0.000000 0.362146 Ba\n0.666667 0.333333 0.958099 Ba\n0.000000 0.000000 0.637855 Ba\n0.000000 0.000000 0.862146 Ba\n0.666667 0.333333 0.541901 Ba\n0.333333 0.666667 0.458099 Ba\n0.000000 0.000000 0.137855 Ba\n0.333333 0.666667 0.041901 Ba\n0.666667 0.333333 0.250000 Ba\n0.333333 0.666667 0.750000 Ba\n0.666667 0.333333 0.103444 Er\n0.333333 0.666667 0.896556 Er\n0.333333 0.666667 0.603444 Er\n0.666667 0.333333 0.396556 Er\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.666667 0.333333 0.819330 Al\n0.333333 0.666667 0.180670 Al\n0.666667 0.333333 0.680670 Al\n0.333333 0.666667 0.319330 Al\n0.674373 0.837187 0.550230 O\n0.666667 0.333333 0.750000 O\n0.495247 0.504753 0.342195 O\n0.674373 0.837187 0.949770 O\n0.504753 0.009507 0.842195 O\n0.162813 0.837187 0.550230 O\n0.504753 0.495247 0.657805 O\n0.162813 0.325627 0.949770 O\n0.495247 0.504753 0.157805 O\n0.325627 0.162813 0.449770 O\n0.990493 0.495247 0.842195 O\n0.009507 0.504753 0.342195 O\n0.162813 0.837187 0.949770 O\n0.990493 0.495247 0.657805 O\n0.325627 0.162813 0.050230 O\n0.837187 0.162813 0.449770 O\n0.009507 0.504753 0.157805 O\n0.495247 0.990493 0.157805 O\n0.837187 0.162813 0.050230 O\n0.504753 0.495247 0.842195 O\n0.162813 0.325627 0.550230 O\n0.333333 0.666667 0.250000 O\n0.837187 0.674373 0.449770 O\n0.837187 0.674373 0.050230 O\n0.504753 0.009507 0.657805 O\n0.495247 0.990493 0.342195 O\n",
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{
"id": "jvasp-85366",
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"structure_string": "K2 Fe1 Cu1 C6 N6\n1.0\n6.133066 -0.153092 3.285873\n1.783807 5.730518 3.545344\n-0.189350 0.148647 6.966177\nK Fe Cu C N\n2 1 1 6 6\ndirect\n0.711122 0.756053 0.755619 K\n0.288912 0.243954 0.244342 K\n-0.000001 -0.000005 -0.000003 Fe\n0.499978 0.500020 0.500018 Cu\n0.090671 0.823484 0.822994 C\n0.909324 0.176508 0.177009 C\n0.219651 0.778602 0.154496 C\n0.780499 0.845327 0.221166 C\n0.780353 0.221393 0.845499 C\n0.219500 0.154672 0.778826 C\n0.629446 0.355544 0.765708 N\n0.854010 0.285540 0.286380 N\n0.370329 0.234573 0.644808 N\n0.629663 0.765437 0.355197 N\n0.145993 0.714442 0.713631 N\n0.370555 0.644473 0.234298 N\n",
"nsites": 16,
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],
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{
"id": "jvasp-98336",
"created_at": "2022-09-04T14:35:56.273561Z",
"updated_at": "2022-09-04T14:35:56.273580Z",
"structure_string": "Mg4 Cu4 P4 H24 O30\n1.0\n10.968015 2.536779 -1.954615\n-10.968015 2.536779 1.954615\n-0.070656 0.000000 10.481758\nMg Cu P H O\n4 4 4 24 30\ndirect\n0.962330 0.723827 0.965494 Mg\n0.723827 0.962330 0.534506 Mg\n0.037670 0.276173 0.034506 Mg\n0.276173 0.037671 0.465494 Mg\n0.102109 0.609449 0.867425 Cu\n0.609448 0.102109 0.632575 Cu\n0.897891 0.390552 0.132575 Cu\n0.390552 0.897891 0.367425 Cu\n0.827358 0.519335 0.273675 P\n0.519335 0.827358 0.226325 P\n0.172642 0.480666 0.726325 P\n0.480666 0.172643 0.773675 P\n0.536745 0.573787 0.641282 H\n0.767098 0.841510 0.232042 H\n0.841510 0.767098 0.267958 H\n0.232903 0.158490 0.767958 H\n0.206110 0.219773 0.432867 H\n0.219773 0.206110 0.067133 H\n0.793890 0.780228 0.567133 H\n0.780228 0.793890 0.932867 H\n0.463255 0.426214 0.358718 H\n0.426214 0.463256 0.141282 H\n0.573787 0.536745 0.858718 H\n0.158490 0.232903 0.732042 H\n0.836331 0.026395 0.830125 H\n0.973605 0.163670 0.330125 H\n0.163670 0.973605 0.169875 H\n0.786257 0.575677 0.587498 H\n0.575677 0.786257 0.912502 H\n0.213743 0.424324 0.412502 H\n0.424324 0.213743 0.087498 H\n0.130988 0.669521 0.573011 H\n0.026395 0.836331 0.669875 H\n0.669520 0.130988 0.926990 H\n0.869013 0.330480 0.426990 H\n0.330480 0.869013 0.073011 H\n0.843245 0.269880 0.976539 O\n0.156756 0.730120 0.023461 O\n0.269880 0.843245 0.523461 O\n0.730120 0.156756 0.476539 O\n0.223217 0.048733 0.078628 O\n0.253052 0.315889 0.088619 O\n0.776784 0.951268 0.921372 O\n0.951268 0.776784 0.578628 O\n0.746948 0.684112 0.911381 O\n0.684112 0.746948 0.588619 O\n0.275046 0.585842 0.141194 O\n0.315889 0.253052 0.411381 O\n0.048732 0.223217 0.421372 O\n0.585842 0.275046 0.358806 O\n-0.010555 0.216709 0.688091 O\n0.414159 0.724955 0.641194 O\n0.783292 0.010555 0.188091 O\n0.010555 0.783292 0.311910 O\n0.216708 -0.010555 0.811909 O\n0.563021 0.009160 0.211264 O\n0.009160 0.563021 0.288736 O\n0.436979 0.990840 0.788736 O\n0.990840 0.436980 0.711264 O\n0.470910 0.740701 0.371333 O\n0.740701 0.470910 0.128667 O\n0.529090 0.259300 0.628667 O\n0.259300 0.529091 0.871333 O\n0.306718 0.306718 0.750000 O\n0.724955 0.414159 0.858806 O\n0.693283 0.693283 0.250000 O\n",
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{
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"structure_string": "K16 Ge4 H16 N8 O12\n1.0\n10.501962 0.000000 -3.000044\n0.000000 6.400803 0.000000\n0.029986 0.000000 12.162056\nK Ge H N O\n16 4 16 8 12\ndirect\n0.637700 0.387020 0.613620 K\n0.198961 0.112160 0.326438 K\n0.801039 0.612160 0.173562 K\n0.198961 0.387840 0.826438 K\n0.855164 0.181606 0.401052 K\n0.144836 0.681606 0.098948 K\n0.144836 0.818394 0.598949 K\n0.855164 0.318394 0.901052 K\n0.801039 0.887839 0.673563 K\n0.485673 0.621808 0.147184 K\n0.485673 0.878191 0.647184 K\n0.514327 0.378192 0.852817 K\n0.637700 0.112980 0.113620 K\n0.362300 0.612979 0.386381 K\n0.362300 0.887020 0.886381 K\n0.514327 0.121808 0.352817 K\n0.300705 0.191431 0.101067 Ge\n0.699295 0.691431 0.398933 Ge\n0.300705 0.308569 0.601067 Ge\n0.699295 0.808569 0.898934 Ge\n0.014776 0.812937 0.319532 H\n0.935564 0.080221 0.197200 H\n0.064436 0.580221 0.302801 H\n0.064436 0.919778 0.802801 H\n0.935565 0.419778 0.697200 H\n0.985224 0.187062 0.680469 H\n0.014776 0.687062 0.819532 H\n0.985224 0.312938 0.180469 H\n0.109103 0.052365 0.959457 H\n0.890898 0.552365 0.540544 H\n0.890897 0.947635 0.040544 H\n0.109103 0.447635 0.459457 H\n0.066852 0.181237 0.060745 H\n0.933148 0.681237 0.439255 H\n0.933148 0.818763 0.939255 H\n0.066852 0.318763 0.560746 H\n0.903433 0.222917 0.160856 N\n0.096567 0.777083 0.839145 N\n0.903433 0.277083 0.660856 N\n0.096567 0.722917 0.339144 N\n0.874653 0.689372 0.493164 N\n0.874653 0.810627 0.993165 N\n0.125347 0.310628 0.506836 N\n0.125347 0.189372 0.006836 N\n0.340248 0.557657 0.666272 O\n0.394764 0.263618 0.008356 O\n0.605236 0.763618 0.491644 O\n0.605236 0.736381 0.991645 O\n0.394765 0.236382 0.508356 O\n0.301749 0.382991 0.206676 O\n0.698251 0.882990 0.293324 O\n0.698251 0.617009 0.793325 O\n0.301749 0.117009 0.706676 O\n0.659752 0.442343 0.333728 O\n0.340248 0.942342 0.166272 O\n0.659752 0.057657 0.833729 O\n",
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{
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"created_at": "2022-09-04T14:35:47.269117Z",
"updated_at": "2022-09-04T14:35:47.269144Z",
"structure_string": "Li8 B8 H16 O8 F32\n1.0\n5.044995 0.000000 0.000000\n0.000000 10.128727 0.000000\n0.000000 0.000000 13.125799\nLi B H O F\n8 8 16 8 32\ndirect\n0.041266 0.750000 0.000000 Li\n0.458734 0.750000 0.500000 Li\n0.958735 0.250000 0.000000 Li\n0.541266 0.250000 0.500000 Li\n0.250000 0.864505 0.250000 Li\n0.250000 0.635496 0.750000 Li\n0.750001 0.135495 0.750000 Li\n0.750001 0.364505 0.250000 Li\n0.023666 0.124893 0.375338 B\n0.023666 0.375107 0.624662 B\n0.476334 0.124893 0.124662 B\n0.476334 0.375107 0.875338 B\n0.976335 0.875107 0.624662 B\n0.976335 0.624893 0.375338 B\n0.523667 0.875107 0.875338 B\n0.523667 0.624893 0.124662 B\n0.530362 0.032817 0.600003 H\n0.530362 0.467183 0.399997 H\n0.969639 0.032817 0.899997 H\n0.969639 0.467183 0.100003 H\n0.469639 0.967183 0.399997 H\n0.469639 0.532818 0.600003 H\n0.030361 0.967183 0.100003 H\n0.030361 0.532818 0.899997 H\n0.818287 0.874125 0.147223 H\n0.318287 0.374125 0.352777 H\n0.181714 0.125875 0.852777 H\n0.181714 0.374125 0.147223 H\n0.681714 0.874125 0.352777 H\n0.681714 0.625875 0.647223 H\n0.818287 0.625875 0.852777 H\n0.318287 0.125875 0.647223 H\n0.997387 0.123480 0.876001 O\n0.502614 0.123480 0.623999 O\n0.502614 0.376520 0.376001 O\n0.997387 0.376520 0.123999 O\n0.497387 0.876520 0.376001 O\n0.497387 0.623480 0.623999 O\n0.002614 0.876520 0.123999 O\n0.002614 0.623480 0.876001 O\n0.772848 0.873838 0.926088 F\n0.727154 0.626162 0.426088 F\n0.727154 0.873838 0.573912 F\n0.227153 0.373838 0.926088 F\n0.227153 0.126162 0.073912 F\n0.272847 0.373838 0.573912 F\n0.505051 0.738766 0.186812 F\n0.772848 0.626162 0.073912 F\n0.505051 0.761234 0.813188 F\n0.994950 0.738766 0.313188 F\n0.994950 0.761234 0.686812 F\n0.494950 0.261234 0.813188 F\n0.494950 0.238766 0.186812 F\n0.272847 0.126162 0.426088 F\n0.006302 0.010159 0.314545 F\n0.006302 0.489841 0.685455 F\n0.493698 0.010159 0.185455 F\n0.493698 0.489841 0.814545 F\n0.993699 0.989841 0.685455 F\n0.993699 0.510159 0.314545 F\n0.506303 0.989841 0.814545 F\n0.506303 0.510159 0.185455 F\n0.817647 0.124712 0.447977 F\n0.817647 0.375288 0.552023 F\n0.682354 0.124712 0.052023 F\n0.682354 0.375288 0.947977 F\n0.182354 0.875288 0.552023 F\n0.182354 0.624712 0.447977 F\n0.317647 0.875288 0.947977 F\n0.317647 0.624712 0.052023 F\n0.005051 0.261234 0.686812 F\n0.005051 0.238766 0.313188 F\n",
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{
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"structure_string": "Ca2 H4 C2 Cl2 O6\n1.0\n-3.426670 3.668058 3.949487\n3.479022 -3.668058 3.481189\n3.426670 3.668058 -3.949487\nCa H C Cl O\n2 4 2 2 6\ndirect\n0.863983 0.113907 0.249926 Ca\n0.136018 0.886093 0.750074 Ca\n0.816127 0.154236 0.786693 H\n0.632456 0.845764 0.661891 H\n0.183873 0.845764 0.213307 H\n0.367544 0.154236 0.338110 H\n0.394176 0.500000 0.894176 C\n0.605824 0.500000 0.105824 C\n0.237454 0.592152 0.354698 Cl\n0.762547 0.407848 0.645302 Cl\n0.428029 0.730279 0.935670 O\n0.205390 0.269721 0.697749 O\n0.571972 0.269721 0.064330 O\n0.794610 0.730279 0.302251 O\n0.807833 -0.000000 0.807833 O\n0.192168 -0.000000 0.192168 O\n",
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