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{
"id": "jvasp-28660",
"created_at": "2022-09-04T14:37:16.521616Z",
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"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n3.418600 0.000100 -0.000062\n-1.709213 2.960574 0.000035\n-0.000721 0.000062 39.580041\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.333362 0.666671 0.705723 Te\n0.666650 0.333313 0.421535 Te\n0.666677 0.333317 0.516091 Te\n0.333334 0.666667 0.611129 Te\n0.333413 0.666745 0.094030 Mo\n0.333339 0.666653 0.468811 Mo\n0.666639 0.333281 0.281571 W\n0.666667 0.333321 0.658606 W\n0.333327 0.666642 0.323160 Se\n0.333302 0.666634 0.239738 Se\n0.666634 0.333372 0.056404 S\n0.666657 0.333375 0.131947 S\n",
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"structure_string": "Li3 Mn1 P2 H1 O8\n1.0\n5.033736 0.081895 0.022702\n-2.045691 4.633044 -0.021189\n0.002356 -0.058423 6.191428\nLi Mn P H O\n3 1 2 1 8\ndirect\n0.619723 0.223749 0.755876 Li\n0.000001 0.000000 0.500000 Li\n0.380278 0.776250 0.244124 Li\n0.000000 0.000000 0.000000 Mn\n0.638823 0.361965 0.248278 P\n0.361178 0.638034 0.751722 P\n0.000000 0.500000 0.500000 H\n0.754498 0.253429 0.050944 O\n0.781210 0.295781 0.458227 O\n0.309365 0.193651 0.265933 O\n0.275647 0.309024 0.757979 O\n0.724355 0.690975 0.242021 O\n0.690636 0.806347 0.734067 O\n0.218791 0.704218 0.541773 O\n0.245503 0.746570 0.949056 O\n",
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{
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"structure_string": "Ba1 Y1 Mn1 Cu1 O5\n1.0\n3.899424 0.000000 0.000000\n0.000000 3.899424 0.000000\n0.000000 0.000000 7.602740\nBa Y Mn Cu O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.016604 Ba\n0.000000 0.000000 0.543580 Y\n0.499999 0.499999 0.302530 Mn\n0.499999 0.499999 0.745831 Cu\n0.499999 0.000000 0.349546 O\n0.000000 0.499999 0.349546 O\n0.499999 0.000000 0.722626 O\n0.000000 0.499999 0.722626 O\n0.499999 0.499999 0.059195 O\n",
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{
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"updated_at": "2022-09-04T14:37:09.484793Z",
"structure_string": "K6 Na4 Li2 Te2 O12\n1.0\n6.806181 0.005823 -0.273505\n-0.379433 7.334741 -1.847574\n0.005438 -0.020394 7.573340\nK Na Li Te O\n6 4 2 2 12\ndirect\n0.776951 0.372254 0.404651 K\n0.435673 0.011082 0.109120 K\n0.244091 0.782725 0.701352 K\n0.276951 0.404650 0.372255 K\n0.935673 0.109120 0.011083 K\n0.744091 0.701351 0.782726 K\n0.895734 0.071319 0.613028 Na\n0.395734 0.613028 0.071320 Na\n0.592730 0.857733 0.431953 Na\n0.092730 0.431953 0.857734 Na\n0.246429 0.033629 0.471898 Li\n0.746429 0.471898 0.033629 Li\n0.497456 0.242989 0.758118 Te\n-0.002544 0.758117 0.242989 Te\n0.509725 0.324412 0.031941 O\n0.598984 0.005487 0.768304 O\n0.899805 0.744243 0.481827 O\n0.221360 0.141715 0.743146 O\n0.098984 0.768304 0.005488 O\n0.721359 0.743145 0.141715 O\n0.009725 0.031941 0.324413 O\n0.495972 0.161553 0.486501 O\n0.995972 0.486501 0.161554 O\n0.272893 0.769942 0.345882 O\n0.399805 0.481826 0.744244 O\n0.772893 0.345881 0.769943 O\n",
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{
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"updated_at": "2022-09-04T14:37:16.375262Z",
"structure_string": "Te4 Mo3 W1 Se2 S2\n1.0\n3.409213 -0.000101 -0.000063\n-1.704693 2.952625 -0.000307\n-0.000650 -0.004015 34.959528\nTe Mo W Se S\n4 3 1 2 2\ndirect\n0.333409 0.666801 0.710746 Te\n0.666574 0.333183 0.037549 Te\n0.666755 0.333477 0.144727 Te\n0.333239 0.666529 0.602967 Te\n0.333313 0.666668 0.091066 Mo\n0.333352 0.666724 0.467009 Mo\n0.666665 0.333279 0.287909 Mo\n0.666693 0.333333 0.656931 W\n0.333373 0.666751 0.335016 Se\n0.333204 0.666470 0.240827 Se\n0.666662 0.333321 0.424104 S\n0.666761 0.333466 0.509901 S\n",
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{
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"created_at": "2022-09-04T14:37:33.453104Z",
"updated_at": "2022-09-04T14:37:33.453131Z",
"structure_string": "Sr1 Ni2 P2 H4 O10\n1.0\n-4.481253 -3.011150 -0.006255\n4.481253 -3.011150 0.006255\n-3.037094 0.000000 6.772364\nSr Ni P H O\n1 2 2 4 10\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.499998 Ni\n0.999999 0.500000 0.500000 Ni\n0.586399 0.413601 0.222549 P\n0.413601 0.586399 0.777451 P\n0.255280 0.744720 0.207464 H\n0.073840 0.926160 0.365868 H\n0.926160 0.073840 0.634132 H\n0.744720 0.255280 0.792535 H\n0.299338 0.700661 0.661728 O\n0.814736 0.185263 0.638991 O\n0.185263 0.814737 0.361009 O\n0.700661 0.299339 0.338272 O\n0.703526 0.296474 0.003303 O\n0.265680 0.307247 0.272658 O\n0.296474 0.703526 0.996697 O\n0.307248 0.265680 0.727342 O\n0.692752 0.734320 0.272658 O\n0.734321 0.692753 0.727342 O\n",
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{
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"created_at": "2022-09-04T14:37:33.570827Z",
"updated_at": "2022-09-04T14:37:33.570848Z",
"structure_string": "Na4 In2 P2 C2 O14\n1.0\n0.000000 5.220797 -0.031242\n6.768189 0.000000 0.000000\n0.000000 -0.014234 -9.122734\nNa In P C O\n4 2 2 2 14\ndirect\n0.229512 0.496528 0.214771 Na\n0.229512 0.003472 0.214771 Na\n0.770489 0.503472 0.785228 Na\n0.770489 0.996528 0.785228 Na\n0.779580 0.750000 0.365491 In\n0.220421 0.250000 0.634509 In\n0.715763 0.250000 0.419494 P\n0.284238 0.750000 0.580506 P\n0.716719 0.750000 0.076479 C\n0.283282 0.250000 0.923520 C\n0.472349 0.250000 0.824843 O\n0.187020 0.933863 0.663086 O\n0.187020 0.566138 0.663086 O\n0.815536 0.250000 0.580331 O\n0.585349 0.750000 0.573120 O\n0.414652 0.250000 0.426879 O\n0.946928 0.750000 0.132404 O\n0.812982 0.433863 0.336913 O\n0.812982 0.066137 0.336913 O\n0.527652 0.750000 0.175156 O\n0.053074 0.250000 0.867596 O\n0.328727 0.250000 0.058840 O\n0.184465 0.750000 0.419668 O\n0.671274 0.750000 0.941160 O\n",
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{
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"created_at": "2022-09-04T14:37:33.807452Z",
"updated_at": "2022-09-04T14:37:33.807478Z",
"structure_string": "Te2 Mo3 W1 Se4 S2\n1.0\n3.350475 -0.000015 -0.000013\n-1.675251 2.901606 0.000007\n-0.000151 0.000112 36.058337\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.666665 0.333353 0.414854 Te\n0.666676 0.333332 0.520821 Te\n0.333333 0.666672 0.099407 Mo\n0.666679 0.333358 0.274876 Mo\n0.666643 0.333285 0.660815 Mo\n0.333342 0.666682 0.467852 W\n0.333356 0.666691 0.321060 Se\n0.333319 0.666616 0.706956 Se\n0.333344 0.666704 0.228670 Se\n0.333311 0.666636 0.614594 Se\n0.666661 0.333347 0.057352 S\n0.666663 0.333319 0.141492 S\n",
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{
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"created_at": "2022-09-04T14:37:34.667710Z",
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"structure_string": "Te2 Mo3 W1 Se4 S2\n1.0\n3.345587 -0.000111 0.000497\n-1.672889 2.897436 -0.000031\n0.005234 0.002665 35.320536\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.667089 0.333355 0.419115 Te\n0.666653 0.333312 0.526823 Te\n0.332877 0.666681 0.089859 Mo\n0.333426 0.666582 0.472948 Mo\n0.666505 0.333334 0.275851 Mo\n0.667112 0.333348 0.664232 W\n0.332972 0.666568 0.323068 Se\n0.666384 0.333391 0.042716 Se\n0.665960 0.333269 0.137061 Se\n0.333435 0.666796 0.228657 Se\n0.333601 0.666627 0.707381 S\n0.333995 0.666754 0.621034 S\n",
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"structure_string": "Li4 Fe2 As2 C2 O14\n1.0\n0.000000 5.018637 -0.005231\n6.560819 0.000000 0.000000\n0.000000 -0.377462 -8.581615\nLi Fe As C O\n4 2 2 2 14\ndirect\n0.792964 0.482920 0.204025 Li\n0.792964 0.017080 0.204025 Li\n0.207037 0.517081 0.795974 Li\n0.207037 0.982920 0.795974 Li\n0.219944 0.250000 0.344786 Fe\n0.780057 0.750000 0.655213 Fe\n0.281021 0.750000 0.417660 As\n0.718980 0.250000 0.582339 As\n0.256968 0.250000 0.047810 C\n0.743033 0.750000 0.952189 C\n0.543965 0.750000 0.847146 O\n0.828109 0.044123 0.687333 O\n0.828109 0.455877 0.687333 O\n0.175984 0.750000 0.606488 O\n0.373926 0.250000 0.557235 O\n0.626075 0.750000 0.442765 O\n0.020239 0.250000 0.105145 O\n0.171892 0.544123 0.312667 O\n0.171892 0.955877 0.312667 O\n0.456036 0.250000 0.152853 O\n0.979762 0.750000 0.894854 O\n0.705576 0.750000 0.097225 O\n0.824017 0.250000 0.393512 O\n0.294425 0.250000 0.902774 O\n",
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"created_at": "2022-09-04T14:37:42.926372Z",
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"structure_string": "Te2 Mo1 W2 Se2 S2\n1.0\n3.352832 0.000000 0.000000\n-1.676416 2.900619 0.134001\n0.000000 1.022530 20.138326\nTe Mo W Se S\n2 1 2 2 2\ndirect\n0.811418 0.622838 0.914721 Te\n0.747788 0.495578 0.103989 Te\n0.446281 0.892565 0.009359 Mo\n0.224360 0.448722 0.674298 W\n0.662670 0.325341 0.357311 W\n0.301307 0.602617 0.440687 Se\n0.357374 0.714751 0.273918 Se\n0.583201 0.166401 0.598398 S\n0.532194 0.064388 0.750159 S\n",
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}