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{
"id": "jvasp-30446",
"created_at": "2022-09-04T14:38:05.219037Z",
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{
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"structure_string": "Er1 Mg1 Au2\n1.0\n4.206813 -0.000000 2.428805\n1.402271 3.966221 2.428805\n-0.000000 -0.000000 4.857609\nEr Mg Au\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Er\n0.000000 0.000000 0.000000 Mg\n0.749999 0.750000 0.749999 Au\n0.250000 0.250000 0.250000 Au\n",
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"structure_string": "Li1 Ti3 V1 O8\n1.0\n1.682381 -5.697265 0.001301\n-0.001115 -3.096149 5.069834\n-3.455497 -4.117536 -2.515233\nLi Ti V O\n1 3 1 8\ndirect\n0.000001 0.500000 0.500000 Li\n0.000001 0.499999 -0.000000 Ti\n0.500001 0.500000 -0.000000 Ti\n0.500001 0.000000 0.000000 Ti\n0.000001 0.999998 -0.000001 V\n0.469574 0.265221 0.795597 O\n0.482473 0.758770 0.789443 O\n0.969277 0.271983 0.789427 O\n0.969282 0.758755 0.789427 O\n0.030719 0.241244 0.210573 O\n0.030724 0.728017 0.210573 O\n0.517529 0.241230 0.210558 O\n0.530427 0.734778 0.204404 O\n",
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{
"id": "jvasp-40443",
"created_at": "2022-09-04T14:38:05.214996Z",
"updated_at": "2022-09-04T14:38:05.215021Z",
"structure_string": "Tc2 Rh6\n1.0\n2.736947 -4.740532 -0.000000\n2.736947 4.740532 0.000000\n-0.000000 0.000000 4.347845\nTc Rh\n2 6\ndirect\n0.333334 0.666667 0.250000 Tc\n0.666667 0.333334 0.750001 Tc\n0.168062 0.831939 0.750001 Rh\n0.663877 0.831939 0.750001 Rh\n0.168062 0.336124 0.750001 Rh\n0.831939 0.168062 0.250000 Rh\n0.336124 0.168062 0.250000 Rh\n0.831939 0.663877 0.250000 Rh\n",
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{
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"updated_at": "2022-09-04T14:38:05.211693Z",
"structure_string": "Te8 Mo4\n1.0\n3.526439 0.000000 0.000000\n0.000000 6.370843 0.000000\n0.000000 0.000000 14.104775\nTe Mo\n8 4\ndirect\n0.000000 0.831321 0.654525 Te\n0.500000 0.168679 0.154525 Te\n0.000000 0.673651 0.110590 Te\n0.500000 0.326348 0.610590 Te\n0.000000 0.325670 0.860553 Te\n0.500000 0.674330 0.360552 Te\n0.000000 0.179491 0.404461 Te\n0.500000 0.820508 0.904461 Te\n0.000000 0.573350 0.500299 Mo\n0.500000 0.426650 0.000298 Mo\n0.000000 0.067535 0.014775 Mo\n0.500000 0.932465 0.514775 Mo\n",
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"elements": [
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{
"id": "jvasp-35177",
"created_at": "2022-09-04T14:38:05.209813Z",
"updated_at": "2022-09-04T14:38:05.209839Z",
"structure_string": "Mg2 S4 O14\n1.0\n4.912412 -0.049795 0.004557\n-2.008967 6.717178 -0.011725\n-0.653514 -0.575053 8.148945\nMg S O\n2 4 14\ndirect\n-0.000000 0.500000 0.000000 Mg\n0.500000 -0.000000 0.500000 Mg\n0.521834 0.652639 0.770617 S\n0.478166 0.347361 0.229384 S\n0.134156 0.254099 0.685742 S\n0.865844 0.745901 0.314258 S\n0.654454 0.851506 0.321462 O\n0.345546 0.148494 0.678539 O\n0.095522 0.804964 0.444800 O\n0.904478 0.195036 0.555200 O\n0.706435 0.514969 0.361118 O\n0.293565 0.485031 0.638882 O\n0.635670 0.321557 0.091900 O\n0.599124 0.822466 0.672813 O\n0.046879 0.270819 0.849394 O\n0.364329 0.678443 0.908101 O\n0.244190 0.428115 0.189457 O\n0.755809 0.571886 0.810544 O\n0.400875 0.177534 0.327188 O\n0.953121 0.729181 0.150606 O\n",
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{
"id": "jvasp-35208",
"created_at": "2022-09-04T14:38:05.206272Z",
"updated_at": "2022-09-04T14:38:05.206299Z",
"structure_string": "Zn8 Si4 O16\n1.0\n-5.801410 0.000000 0.000000\n-2.900706 -5.816734 -4.241363\n-2.900706 -5.816734 4.241363\nZn Si O\n8 4 16\ndirect\n0.500001 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.750001 0.218796 0.281204 Zn\n0.250002 0.781203 0.718796 Zn\n0.875821 0.624180 0.124180 Zn\n0.624181 0.375820 0.875819 Zn\n0.375821 0.624180 0.124180 Zn\n0.124181 0.375820 0.875819 Zn\n0.879345 0.737884 0.503428 Si\n0.120658 0.262115 0.496571 Si\n0.379343 0.003429 0.237885 Si\n0.620659 0.996571 0.762115 Si\n0.359509 0.368528 0.385600 O\n0.113637 0.631471 0.614400 O\n0.140492 0.114400 0.131472 O\n0.386366 0.885599 0.868528 O\n0.640493 0.631471 0.614400 O\n0.886365 0.368528 0.385600 O\n0.512035 0.230942 0.744991 O\n0.250002 0.535995 0.964004 O\n0.012035 0.244991 0.730942 O\n0.987967 0.755008 0.269058 O\n0.250001 0.035250 0.464749 O\n0.750002 0.964749 0.535250 O\n0.613636 0.114400 0.131472 O\n0.750001 0.464004 0.035996 O\n0.487967 0.769057 0.255009 O\n0.859510 0.885599 0.868528 O\n",
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{
"id": "jvasp-47032",
"created_at": "2022-09-04T14:38:05.206028Z",
"updated_at": "2022-09-04T14:38:05.206053Z",
"structure_string": "Li4 Ni2 O2 F4\n1.0\n2.878578 0.000000 0.000000\n0.000000 2.878578 -0.000000\n-0.000000 0.000000 12.539577\nLi Ni O F\n4 2 2 4\ndirect\n0.000000 0.000000 0.341871 Li\n0.500000 0.500000 0.504592 Li\n0.000000 0.000000 0.662076 Li\n0.500000 0.500000 0.824798 Li\n0.000000 0.000000 -0.000120 Ni\n0.500000 0.500000 0.166785 Ni\n0.500000 0.500000 0.997369 O\n0.000000 0.000000 0.169295 O\n0.500000 0.500000 0.346179 F\n0.000000 0.000000 0.503566 F\n0.500000 0.500000 0.663100 F\n0.000000 0.000000 0.820487 F\n",
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{
"id": "jvasp-36745",
"created_at": "2022-09-04T14:38:05.204110Z",
"updated_at": "2022-09-04T14:38:05.204139Z",
"structure_string": "Ti2 Re2 N6\n1.0\n-4.541163 0.000000 2.338040\n-2.872458 4.223456 -0.000000\n-4.538612 0.001735 -3.236162\nTi Re N\n2 2 6\ndirect\n0.994363 0.994364 0.016910 Ti\n0.494363 0.494364 0.516910 Ti\n0.297944 0.297944 0.106168 Re\n0.797943 0.797945 0.606167 Re\n0.410888 0.071124 0.810597 N\n0.707391 0.410890 0.810596 N\n0.910888 0.207392 0.310597 N\n0.571122 0.910890 0.310597 N\n0.071122 0.707393 0.810597 N\n0.207391 0.571124 0.310597 N\n",
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{
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"created_at": "2022-09-04T14:38:05.201616Z",
"updated_at": "2022-09-04T14:38:05.201643Z",
"structure_string": "Rb2 Ba2 Si2 H2 O8\n1.0\n0.000000 5.940888 -0.024179\n8.175521 0.000000 0.000000\n0.000000 -2.849092 -5.297386\nRb Ba Si H O\n2 2 2 2 8\ndirect\n0.365541 0.229258 0.711683 Rb\n0.634461 0.729258 0.288318 Rb\n0.013470 0.484411 0.004912 Ba\n0.986531 0.984411 0.995089 Ba\n0.694809 0.245929 0.377653 Si\n0.305192 0.745928 0.622348 Si\n0.513292 0.009448 0.454748 H\n0.486709 0.509447 0.545253 H\n0.844463 0.241203 0.208919 O\n0.155538 0.741203 0.791082 O\n0.885914 0.236256 0.681703 O\n0.114088 0.736255 0.318298 O\n0.493011 0.399365 0.309684 O\n0.506990 0.899365 0.690317 O\n0.507795 0.071132 0.305247 O\n0.492206 0.571132 0.694754 O\n",
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{
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"created_at": "2022-09-04T14:38:05.197083Z",
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"structure_string": "Li2 Fe2 Si2 O8\n1.0\n4.993035 -0.002558 -0.000209\n0.004260 5.530386 -0.001235\n0.070570 0.002301 6.082391\nLi Fe Si O\n2 2 2 8\ndirect\n0.010637 0.333685 0.749588 Li\n0.510856 0.666105 0.249626 Li\n0.009985 0.832431 0.998848 Fe\n0.509843 0.167335 0.498768 Fe\n0.005870 0.830767 0.501381 Si\n0.505804 0.169017 0.001301 Si\n0.139578 0.104229 0.521619 O\n0.121720 0.703446 0.273419 O\n0.075869 0.673132 0.724030 O\n0.177853 0.137544 0.981338 O\n0.639679 0.895557 0.021613 O\n0.575774 0.326618 0.223914 O\n0.621537 0.296337 0.773288 O\n0.677902 0.862223 0.481354 O\n",
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{
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"created_at": "2022-09-04T14:38:05.196581Z",
"updated_at": "2022-09-04T14:38:05.196609Z",
"structure_string": "Th6 Co1 Br15\n1.0\n9.418296 -0.000000 -3.329871\n-4.709147 8.156484 -3.329871\n0.000000 0.000000 9.989611\nTh Co Br\n6 1 15\ndirect\n-0.000000 0.240691 0.240691 Th\n0.759309 0.000000 0.759308 Th\n0.759308 0.759308 -0.000000 Th\n0.240692 0.240691 -0.000000 Th\n-0.000000 0.759308 0.759308 Th\n0.240692 0.000000 0.240692 Th\n0.000000 0.000000 0.000000 Co\n0.509144 0.254572 0.254573 Br\n-0.000000 0.254572 0.745427 Br\n0.745428 0.000000 0.254573 Br\n0.254572 0.745427 -0.000000 Br\n0.745428 0.254572 0.000000 Br\n0.254573 0.254572 0.509144 Br\n-0.000000 0.745427 0.254572 Br\n0.745427 0.745427 0.490856 Br\n0.490856 0.745427 0.745427 Br\n0.745428 0.490856 0.745427 Br\n-0.000000 0.500000 0.500000 Br\n0.500000 0.000000 0.500000 Br\n0.500000 0.500000 -0.000000 Br\n0.254572 0.509144 0.254572 Br\n0.254573 -0.000000 0.745427 Br\n",
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}
]
}