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{
"id": "jvasp-28929",
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"structure_string": "Te2 Mo1 W3 Se4 S2\n1.0\n3.348445 0.000000 -0.000000\n-1.674222 2.899832 0.000001\n-0.000000 0.000005 37.949740\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.333354 0.666709 0.707785 Te\n0.333355 0.666712 0.607257 Te\n0.666663 0.333328 0.281785 Mo\n0.333313 0.666625 0.093966 W\n0.333310 0.666620 0.469609 W\n0.666689 0.333380 0.657574 W\n0.666647 0.333296 0.049926 Se\n0.666639 0.333279 0.425429 Se\n0.666648 0.333298 0.138097 Se\n0.666647 0.333295 0.513741 Se\n0.333362 0.666725 0.321848 S\n0.333361 0.666724 0.241732 S\n",
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{
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"structure_string": "Sr2 Nd4 Se8\n1.0\n7.822247 0.002928 -0.005071\n-2.604656 7.375861 0.005071\n-2.612936 -3.686466 6.385148\nSr Nd Se\n2 4 8\ndirect\n0.124999 0.750000 0.875000 Sr\n0.375000 0.250000 0.625000 Sr\n0.250000 0.626843 0.376844 Nd\n0.750000 0.873157 0.123157 Nd\n0.623157 0.373157 0.250000 Nd\n0.876844 0.126843 0.750000 Nd\n0.143968 0.152483 0.144726 Se\n0.356031 0.500758 0.008515 Se\n0.644726 0.652482 0.643969 Se\n0.508515 0.000758 0.856032 Se\n0.507757 0.999242 0.355274 Se\n0.991485 0.847518 0.492243 Se\n0.855274 0.499242 0.007757 Se\n0.992243 0.347518 0.491485 Se\n",
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{
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"created_at": "2022-09-04T14:37:45.232607Z",
"updated_at": "2022-09-04T14:37:45.232634Z",
"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n3.405860 0.000002 -0.000000\n-1.702929 2.949559 -0.000011\n-0.000005 -0.000167 36.672182\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.333349 0.666699 0.331053 Te\n0.333358 0.666723 0.709089 Te\n0.333344 0.666690 0.228630 Te\n0.333338 0.666680 0.606405 Te\n0.333317 0.666630 0.096009 Mo\n0.666677 0.333356 0.279919 Mo\n0.333326 0.666651 0.469221 W\n0.666678 0.333363 0.657819 W\n0.666672 0.333349 0.424171 Se\n0.666633 0.333268 0.514324 Se\n0.666631 0.333263 0.055099 S\n0.666664 0.333325 0.137008 S\n",
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{
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"structure_string": "Li12 Cu4 S8\n1.0\n-3.927884 3.927884 5.969496\n3.927884 -3.927884 5.969496\n3.927884 3.927884 -5.969496\nLi Cu S\n12 4 8\ndirect\n0.843759 0.156241 0.250000 Li\n0.406240 0.156240 0.812482 Li\n0.593759 0.406240 0.749999 Li\n0.156240 0.406240 0.312483 Li\n-0.000000 -0.000000 0.499999 Li\n0.000000 0.500000 0.000000 Li\n0.156240 0.843759 0.749999 Li\n0.406241 0.593760 0.250000 Li\n0.843759 0.593760 0.687516 Li\n0.499999 0.000000 0.499999 Li\n0.000000 0.000000 0.000000 Li\n0.593760 0.843760 0.187517 Li\n0.246865 0.496865 0.749999 Cu\n0.503134 0.753134 0.749999 Cu\n0.496866 0.246866 0.250000 Cu\n0.753134 0.503135 0.250000 Cu\n0.210702 0.232844 0.977858 S\n0.789298 0.767156 0.022141 S\n0.754985 0.232845 0.522140 S\n0.232844 0.210703 0.477859 S\n0.767155 0.245015 0.977858 S\n0.232845 0.754985 0.022141 S\n0.767156 0.789297 0.522140 S\n0.245015 0.767155 0.477859 S\n",
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{
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"structure_string": "Ba4 Si4 Cu2 O14\n1.0\n6.652038 0.137857 -1.528836\n-1.856503 6.389211 -1.528836\n0.021250 0.028922 8.601594\nBa Si Cu O\n4 4 2 14\ndirect\n0.186920 0.269881 0.971445 Ba\n0.269882 0.186920 0.471445 Ba\n0.730119 0.813080 0.528553 Ba\n0.813081 0.730119 0.028554 Ba\n0.385786 0.841399 0.140883 Si\n0.614215 0.158600 0.859115 Si\n0.158601 0.614215 0.359116 Si\n0.841400 0.385785 0.640883 Si\n0.739002 0.260999 0.249999 Cu\n0.260999 0.739001 0.749999 Cu\n0.031612 0.372564 0.257467 O\n0.968388 0.627435 0.742532 O\n0.308961 0.618447 0.538444 O\n0.670099 0.329902 0.749999 O\n0.016117 0.777636 0.364981 O\n0.381553 0.691039 0.961554 O\n0.627436 0.968388 0.242532 O\n0.691040 0.381553 0.461555 O\n0.329902 0.670098 0.249999 O\n0.983884 0.222364 0.635018 O\n0.777637 0.016117 0.864981 O\n0.372565 0.031612 0.757467 O\n0.222364 0.983883 0.135018 O\n0.618448 0.308961 0.038444 O\n",
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{
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"created_at": "2022-09-04T14:36:47.169506Z",
"updated_at": "2022-09-04T14:36:47.169534Z",
"structure_string": "Te2 Mo3 W1 Se4 S2\n1.0\n3.346440 0.000000 0.000000\n-1.673220 2.898130 -0.000000\n0.000000 -0.000005 37.980493\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.333356 0.666711 0.707417 Te\n0.333356 0.666712 0.607648 Te\n0.333313 0.666626 0.093930 Mo\n0.333317 0.666634 0.469626 Mo\n0.666686 0.333372 0.657601 Mo\n0.666682 0.333363 0.281793 W\n0.333349 0.666699 0.325880 Se\n0.666648 0.333297 0.425746 Se\n0.666648 0.333296 0.513475 Se\n0.333350 0.666701 0.237685 Se\n0.666648 0.333296 0.054073 S\n0.666650 0.333299 0.133875 S\n",
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"structure_string": "Te2 Mo1 W3 Se4 S2\n1.0\n3.351036 0.000005 0.000004\n-1.675514 2.902043 0.000001\n0.000046 0.000031 37.873956\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.666646 0.333288 0.043984 Te\n0.666643 0.333283 0.144079 Te\n0.333316 0.666626 0.093884 Mo\n0.333317 0.666629 0.469669 W\n0.666686 0.333365 0.281820 W\n0.666688 0.333371 0.657513 W\n0.333358 0.666712 0.701557 Se\n0.666645 0.333287 0.425427 Se\n0.666640 0.333279 0.513895 Se\n0.333364 0.666725 0.613305 Se\n0.333351 0.666705 0.322084 S\n0.333355 0.666711 0.241531 S\n",
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{
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"structure_string": "Mg4 Bi6 O16\n1.0\n3.449887 -5.975379 -0.000000\n3.449887 5.975379 0.000000\n0.000000 0.000000 8.929896\nMg Bi O\n4 6 16\ndirect\n0.666667 0.333333 0.974511 Mg\n0.333333 0.666667 0.474511 Mg\n0.666667 0.333333 0.648401 Mg\n0.333333 0.666667 0.148400 Mg\n0.167416 0.334832 0.764424 Bi\n0.832585 0.167416 0.264424 Bi\n0.334832 0.167416 0.264424 Bi\n0.832585 0.665169 0.264424 Bi\n0.665169 0.832585 0.764424 Bi\n0.167416 0.832585 0.764424 Bi\n0.473205 0.526795 0.617562 O\n0.946411 0.473206 0.117562 O\n0.333333 0.666667 0.908789 O\n0.000000 0.000000 0.136257 O\n0.000000 0.000000 0.636257 O\n0.526795 0.473205 0.117562 O\n0.053590 0.526795 0.617562 O\n0.197861 0.802139 0.330861 O\n0.197861 0.395722 0.330861 O\n0.395722 0.197861 0.830861 O\n0.802139 0.197861 0.830861 O\n0.473206 0.946411 0.617562 O\n0.604279 0.802140 0.330861 O\n0.802140 0.604279 0.830861 O\n0.526795 0.053590 0.117562 O\n0.666667 0.333333 0.408789 O\n",
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}