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{
"id": "jvasp-34490",
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"updated_at": "2022-09-04T14:37:19.866733Z",
"structure_string": "Li2 Ca2 Co2 F12\n1.0\n2.518320 -4.361858 -0.000000\n2.518320 4.361858 -0.000000\n0.000000 -0.000000 9.754874\nLi Ca Co F\n2 2 2 12\ndirect\n0.333333 0.666667 0.750000 Li\n0.666667 0.333333 0.250000 Li\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.750000 Co\n0.333333 0.666667 0.250000 Co\n0.371084 0.021583 0.641292 F\n0.978417 0.349501 0.641292 F\n0.371084 0.349501 0.858707 F\n0.628916 0.978417 0.358707 F\n0.978417 0.628916 0.858707 F\n0.628916 0.650499 0.141292 F\n0.021583 0.371084 0.141292 F\n0.349501 0.371084 0.358707 F\n0.021583 0.650499 0.358707 F\n0.650499 0.628916 0.641292 F\n0.349501 0.978417 0.141292 F\n0.650499 0.021583 0.858707 F\n",
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{
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"structure_string": "Mo1 W2 Se2 S4\n1.0\n3.235943 0.000000 -0.000635\n-1.617965 2.802345 -0.000826\n-0.007244 -0.013544 19.667275\nMo W Se S\n1 2 2 4\ndirect\n0.665946 0.331627 0.343164 Mo\n0.332295 0.666124 0.026893 W\n0.335070 0.668866 0.670875 W\n0.667767 0.334854 0.583558 Se\n0.669051 0.336231 0.758182 Se\n0.333175 0.665556 0.422131 S\n0.665053 0.332193 -0.052448 S\n0.666205 0.333394 0.106252 S\n0.332053 0.664367 0.264231 S\n",
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{
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"updated_at": "2022-09-04T14:37:20.027262Z",
"structure_string": "Sr2 Cu1 P2 O8\n1.0\n5.115194 0.000000 0.000000\n-2.557597 5.548845 -1.643199\n0.000000 -0.016327 6.607234\nSr Cu P O\n2 1 2 8\ndirect\n0.170384 0.340768 0.217472 Sr\n0.829614 0.659231 0.782527 Sr\n0.499999 -0.000000 0.500000 Cu\n0.856094 0.712190 0.290030 P\n0.143904 0.287809 0.709969 P\n0.376570 0.263293 0.561412 O\n0.113276 0.736706 0.438586 O\n0.623428 0.736706 0.438586 O\n0.886722 0.263293 0.561412 O\n0.726715 0.453431 0.138516 O\n0.050027 0.100054 0.831138 O\n0.949971 0.899944 0.168861 O\n0.273283 0.546567 0.861483 O\n",
"nsites": 13,
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{
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"created_at": "2022-09-04T14:37:14.077011Z",
"updated_at": "2022-09-04T14:37:14.077040Z",
"structure_string": "Mo2 W2 Se4 S4\n1.0\n3.258866 0.000000 -0.000000\n-1.629432 2.822268 0.000212\n0.000002 0.001988 34.265307\nMo W Se S\n2 2 4 4\ndirect\n0.333592 0.667182 0.094726 Mo\n0.333223 0.666444 0.469361 Mo\n0.666635 0.333269 0.282084 W\n0.666551 0.333102 0.656742 W\n0.333248 0.666494 0.331932 Se\n0.333185 0.666371 0.706545 Se\n0.333357 0.666714 0.232237 Se\n0.333254 0.666507 0.606886 Se\n0.666964 0.333925 0.049663 S\n0.666586 0.333170 0.424249 S\n0.666893 0.333783 0.139847 S\n0.666525 0.333047 0.514475 S\n",
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{
"id": "jvasp-10477",
"created_at": "2022-09-04T14:37:09.182316Z",
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"structure_string": "Li2 Al2 Pd2 F12\n1.0\n2.512183 -4.351229 0.000000\n2.512183 4.351229 0.000000\n-0.000000 -0.000000 9.144785\nLi Al Pd F\n2 2 2 12\ndirect\n0.333332 0.666666 0.250000 Li\n0.666666 0.333332 0.750000 Li\n0.666666 0.333332 0.250000 Al\n0.333332 0.666666 0.750000 Al\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.975202 0.346932 0.361691 F\n0.024797 0.371729 0.861691 F\n0.653067 0.628270 0.361691 F\n0.371729 0.346932 0.138308 F\n0.975202 0.628269 0.138308 F\n0.346932 0.371729 0.638308 F\n0.628269 0.975202 0.638308 F\n0.346932 0.975202 0.861691 F\n0.024797 0.653067 0.638308 F\n0.653067 0.024797 0.138308 F\n0.371729 0.024797 0.361691 F\n0.628270 0.653067 0.861691 F\n",
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"structure_string": "K1 Rb2 Sc1 F6\n1.0\n5.535683 -0.000000 3.196028\n1.845228 5.219092 3.196028\n-0.000000 -0.000000 6.392056\nK Rb Sc F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500001 K\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.223824 0.776177 0.776178 F\n0.223824 0.776177 0.223824 F\n0.776177 0.223823 0.776178 F\n0.223823 0.223823 0.776177 F\n0.776177 0.223823 0.223824 F\n0.776177 0.776177 0.223824 F\n",
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{
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"structure_string": "Zn1 Cu2 Sn1 Se4\n1.0\n5.245259 -0.000000 -2.352133\n-1.054768 5.138113 -2.352133\n0.006806 0.008344 7.039708\nZn Cu Sn Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.749999 0.500000 Cu\n0.750000 0.249999 0.500001 Cu\n0.500000 0.500000 0.000000 Sn\n0.625002 0.625000 0.730098 Se\n0.374998 0.894903 0.269902 Se\n0.894904 0.374998 0.269903 Se\n0.105097 0.105096 0.730098 Se\n",
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{
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"updated_at": "2022-09-04T14:37:31.331144Z",
"structure_string": "Sr6 Zn2 Rh2 O12\n1.0\n6.699790 0.020373 -0.238839\n-0.248230 6.695221 -0.238839\n0.019572 0.020373 6.704016\nSr Zn Rh O\n6 2 2 12\ndirect\n0.884693 0.249999 0.615307 Sr\n0.384693 0.115306 0.750000 Sr\n0.750000 0.384693 0.115307 Sr\n0.115307 0.750000 0.384693 Sr\n0.615307 0.884693 0.250000 Sr\n0.250000 0.615306 0.884693 Sr\n0.750000 0.749999 0.750000 Zn\n0.250000 0.250000 0.250000 Zn\n0.500000 0.499999 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.091920 0.285638 0.959059 O\n0.785639 0.591920 0.459058 O\n0.540942 0.214361 0.408080 O\n0.408079 0.540941 0.214361 O\n0.214361 0.408079 0.540942 O\n0.714361 0.040941 0.908080 O\n0.908079 0.714361 0.040942 O\n0.040941 0.908079 0.714361 O\n0.459058 0.785638 0.591921 O\n0.591920 0.459058 0.785639 O\n0.959058 0.091920 0.285639 O\n0.285639 0.959058 0.091920 O\n",
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"structure_string": "V2 N4 Cl12 O4\n1.0\n6.527130 0.000000 -0.250898\n0.000000 6.631954 0.000000\n-0.068491 0.000000 10.185261\nV N Cl O\n2 4 12 4\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 V\n0.926549 0.486680 0.808071 N\n0.073451 0.513319 0.191929 N\n0.573451 0.986680 0.691929 N\n0.426549 0.013320 0.308071 N\n0.209505 0.321519 0.519856 Cl\n0.811526 0.699659 0.998937 Cl\n0.538555 0.524214 0.729273 Cl\n0.709505 0.178481 0.019855 Cl\n0.290495 0.821518 0.980144 Cl\n0.311526 0.800340 0.498937 Cl\n0.188475 0.300340 0.001063 Cl\n0.961445 0.024215 0.770726 Cl\n0.688475 0.199660 0.501063 Cl\n0.790495 0.678481 0.480144 Cl\n0.038555 0.975785 0.229273 Cl\n0.461445 0.475785 0.270726 Cl\n0.027891 0.571353 0.740466 O\n0.472109 0.071353 0.759533 O\n0.527891 0.928646 0.240466 O\n0.972109 0.428647 0.259533 O\n",
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{
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"structure_string": "Ca1 Ga1 Sn1 H1\n1.0\n2.182925 -3.780937 0.000000\n2.182925 3.780937 0.000000\n0.000000 -0.000000 4.937558\nCa Ga Sn H\n1 1 1 1\ndirect\n0.000000 0.000000 -0.001573 Ca\n0.666666 0.333332 0.617013 Ga\n0.333332 0.666666 0.443899 Sn\n0.666666 0.333332 0.967561 H\n",
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{
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}