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{
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"structure_string": "Bi8 Te4 O20\n1.0\n5.578190 0.000000 0.000000\n-2.789095 8.303524 0.000000\n0.000000 0.000000 11.553980\nBi Te O\n8 4 20\ndirect\n0.437090 0.830402 0.610558 Bi\n0.937090 0.830402 0.389442 Bi\n0.106687 0.169598 0.610558 Bi\n0.258243 0.500000 0.873729 Bi\n0.758243 0.500000 0.126271 Bi\n0.749772 0.500000 0.615479 Bi\n0.249772 0.500000 0.384521 Bi\n0.606687 0.169598 0.389442 Bi\n0.951179 0.838479 0.870867 Te\n0.112701 0.161521 0.129133 Te\n0.451179 0.838479 0.129133 Te\n0.612701 0.161521 0.870867 Te\n0.938815 0.297535 0.063302 O\n0.641279 0.702464 0.936698 O\n0.236892 0.000000 0.500000 O\n0.736892 0.000000 0.500000 O\n0.876308 0.315328 0.788582 O\n0.897131 0.081631 0.256632 O\n0.815498 0.918368 0.743368 O\n0.141279 0.702464 0.063302 O\n0.438815 0.297535 0.936698 O\n0.388500 0.500000 0.704137 O\n0.888500 0.500000 0.295863 O\n0.630924 0.675829 0.511531 O\n0.955095 0.324171 0.488469 O\n0.130924 0.675829 0.488469 O\n0.455095 0.324171 0.511531 O\n0.060980 0.684672 0.788582 O\n0.376308 0.315328 0.211418 O\n0.560980 0.684672 0.211418 O\n0.315498 0.918368 0.256632 O\n0.397131 0.081631 0.743368 O\n",
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{
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"structure_string": "Co4 H8 Se4 O16\n1.0\n0.000000 5.637244 -0.026631\n4.742396 0.000000 0.000000\n0.000000 -2.976344 -12.852007\nCo H Se O\n4 8 4 16\ndirect\n0.239308 0.822225 0.235753 Co\n0.760692 0.322225 0.264247 Co\n0.239308 0.677776 0.735753 Co\n0.760692 0.177776 0.764247 Co\n0.283106 0.283976 0.128884 H\n-0.007843 0.819151 0.896520 H\n0.716894 0.783976 0.371116 H\n0.007844 0.319151 0.603481 H\n-0.007843 0.680850 0.396520 H\n0.283107 0.216025 0.628884 H\n0.007843 0.180850 0.103481 H\n0.716894 0.716025 0.871117 H\n0.332734 0.258346 0.904356 Se\n0.332734 0.241654 0.404356 Se\n0.667266 0.758346 0.595644 Se\n0.667266 0.741655 0.095644 Se\n0.308336 0.592546 0.377908 O\n0.517776 0.396417 0.821907 O\n0.065900 0.106548 0.321319 O\n0.177057 0.382245 0.607215 O\n0.308336 0.907455 0.877908 O\n0.934100 0.606548 0.178681 O\n0.065900 0.393452 0.821319 O\n0.691664 0.092546 0.122092 O\n0.934100 0.893453 0.678681 O\n0.482224 0.603584 0.178093 O\n0.691664 0.407455 0.622092 O\n0.517776 0.103584 0.321907 O\n0.177056 0.117755 0.107215 O\n0.482224 0.896417 0.678094 O\n0.822943 0.617755 0.392785 O\n0.822944 0.882246 0.892786 O\n",
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{
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"created_at": "2022-09-04T14:36:01.336465Z",
"updated_at": "2022-09-04T14:36:01.336491Z",
"structure_string": "Zn16 S16\n1.0\n3.841538 -0.000000 0.000000\n-1.920768 3.326870 -0.000000\n0.000000 -0.000000 50.226267\nZn S\n16 16\ndirect\n0.333333 0.666667 0.624979 Zn\n0.333333 0.666667 0.812378 Zn\n0.666667 0.333333 0.874934 Zn\n-0.000000 -0.000000 0.562495 Zn\n0.333333 0.666667 0.937521 Zn\n0.333333 0.666667 0.437506 Zn\n-0.000000 -0.000000 0.187558 Zn\n0.666667 0.333333 0.687455 Zn\n-0.000000 -0.000000 0.000053 Zn\n0.666667 0.333333 0.312518 Zn\n0.333333 0.666667 0.250034 Zn\n0.666667 0.333333 0.500002 Zn\n0.333333 0.666667 0.062651 Zn\n-0.000000 -0.000000 0.375010 Zn\n0.666667 0.333333 0.125091 Zn\n-0.000000 -0.000000 0.749923 Zn\n-0.000000 -0.000000 0.046990 S\n-0.000000 -0.000000 0.609348 S\n0.333333 0.666667 0.859211 S\n-0.000000 -0.000000 0.421867 S\n0.333333 0.666667 0.671829 S\n-0.000000 -0.000000 0.796765 S\n0.666667 0.333333 0.921867 S\n0.333333 0.666667 0.109476 S\n0.666667 0.333333 0.734301 S\n0.666667 0.333333 0.546859 S\n0.666667 0.333333 0.359373 S\n0.333333 0.666667 0.296886 S\n-0.000000 -0.000000 0.234407 S\n0.666667 0.333333 0.171936 S\n0.333333 0.666667 0.984335 S\n0.333333 0.666667 0.484363 S\n",
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{
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"created_at": "2022-09-04T14:38:45.011140Z",
"updated_at": "2022-09-04T14:38:45.011164Z",
"structure_string": "H20 C12\n1.0\n4.960889 0.017394 1.333263\n1.045104 5.628126 2.002003\n-0.022755 0.038126 8.250153\nH C\n20 12\ndirect\n0.819574 0.911901 0.444015 H\n0.830010 0.515207 0.826609 H\n0.169988 0.484794 0.173390 H\n0.917188 0.772427 0.662707 H\n0.082810 0.227573 0.337292 H\n0.586894 0.382226 0.322608 H\n0.215069 0.635030 0.884262 H\n0.784929 0.364970 0.115737 H\n0.211164 0.198464 0.974976 H\n0.788834 0.801537 0.025024 H\n0.413104 0.617774 0.677391 H\n0.447470 0.752917 0.092090 H\n0.570089 0.211195 0.612787 H\n0.429909 0.788806 0.387212 H\n0.478583 0.952654 0.776875 H\n0.521416 0.047347 0.223124 H\n0.988470 0.105547 0.763533 H\n0.011528 0.894454 0.236466 H\n0.180424 0.088100 0.555984 H\n0.552528 0.247084 0.907909 H\n0.254535 0.540421 0.784815 C\n0.745464 0.459579 0.215184 C\n0.361797 0.274739 0.860280 C\n0.638201 0.725261 0.139719 C\n0.407715 0.144618 0.722294 C\n0.029202 0.448263 0.581275 C\n0.142763 0.185622 0.652681 C\n0.857235 0.814379 0.347318 C\n0.970797 0.551738 0.418724 C\n0.009689 0.418746 0.285462 C\n0.592283 0.855383 0.277705 C\n0.990309 0.581254 0.714537 C\n",
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{
"id": "jvasp-112144",
"created_at": "2022-09-04T14:38:44.652926Z",
"updated_at": "2022-09-04T14:38:44.652944Z",
"structure_string": "Mg2 H12 C10 O8\n1.0\n4.775671 0.003215 -0.116741\n-0.737323 6.051150 -0.943803\n0.068848 0.010499 8.837872\nMg H C O\n2 12 10 8\ndirect\n0.798590 0.729212 0.753872 Mg\n0.298598 0.229206 0.753864 Mg\n0.045365 0.240381 0.268672 H\n0.545361 0.740381 0.268666 H\n0.789121 0.008489 0.229520 H\n0.289120 0.508489 0.229516 H\n0.953785 0.677164 0.395640 H\n0.453781 0.177169 0.395637 H\n0.101572 0.941781 0.382548 H\n0.775228 0.453210 0.117836 H\n0.275222 0.953211 0.117834 H\n0.481260 0.249471 0.097226 H\n0.981246 0.749477 0.097231 H\n0.601576 0.441785 0.382549 H\n0.318314 0.689332 0.249261 C\n0.711779 0.274622 0.106875 C\n0.211767 0.774624 0.106876 C\n0.818317 0.189333 0.249263 C\n0.658597 0.276122 0.389991 C\n0.803937 0.305026 0.546610 C\n0.825087 0.170844 0.957809 C\n0.325057 0.670844 0.957805 C\n0.303938 0.805030 0.546610 C\n0.158599 0.776120 0.389990 C\n0.157299 0.884716 0.660161 O\n0.555839 0.769087 0.562564 O\n0.055841 0.269097 0.562563 O\n0.153878 0.578759 0.847137 O\n0.653916 0.078720 0.847145 O\n0.591098 0.675719 0.946647 O\n0.091133 0.175763 0.946650 O\n0.657289 0.384698 0.660165 O\n",
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{
"id": "jvasp-23323",
"created_at": "2022-09-04T14:37:31.727906Z",
"updated_at": "2022-09-04T14:37:31.727928Z",
"structure_string": "Mn4 Se8 O20\n1.0\n5.863616 -0.000000 0.000000\n-0.000000 6.935945 0.000000\n0.000000 0.000000 9.901159\nMn Se O\n4 8 20\ndirect\n0.250000 0.000000 0.057414 Mn\n0.750001 0.500000 0.442586 Mn\n0.750001 0.000000 0.942586 Mn\n0.250000 0.500000 0.557414 Mn\n0.510716 0.367685 0.155823 Se\n0.489284 0.867684 0.344177 Se\n0.989285 0.632315 0.155823 Se\n0.010716 0.132315 0.344177 Se\n0.989285 0.867684 0.655823 Se\n0.510716 0.132315 0.655823 Se\n0.010716 0.367685 0.844177 Se\n0.489284 0.632315 0.844177 Se\n0.648552 0.184383 0.806385 O\n0.451707 0.860319 0.924174 O\n0.951707 0.639680 0.575827 O\n0.451707 0.639680 0.424173 O\n0.951707 0.860319 0.075827 O\n0.548294 0.139680 0.075827 O\n0.048293 0.360319 0.424173 O\n0.148552 0.315617 0.693615 O\n0.851449 0.815617 0.806385 O\n0.250000 0.500000 0.932689 O\n0.851449 0.684382 0.306385 O\n0.351448 0.815617 0.193615 O\n0.148552 0.184383 0.193615 O\n0.648552 0.315617 0.306385 O\n0.048293 0.139680 0.924174 O\n0.750001 0.000000 0.567311 O\n0.750001 0.500000 0.067311 O\n0.250000 0.000000 0.432689 O\n0.351448 0.684382 0.693615 O\n0.548294 0.360319 0.575827 O\n",
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{
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"created_at": "2022-09-04T14:37:33.009801Z",
"updated_at": "2022-09-04T14:37:33.009821Z",
"structure_string": "Pr8 Si4 Te4 O16\n1.0\n6.401977 0.000000 0.000000\n-0.000000 7.286612 0.000000\n0.000000 0.000000 11.329547\nPr Si Te O\n8 4 4 16\ndirect\n0.388774 0.750000 0.500000 Pr\n0.388774 0.750000 0.000000 Pr\n0.611227 0.250000 0.500000 Pr\n0.611227 0.250000 0.000000 Pr\n0.886548 0.538648 0.750000 Pr\n0.886548 0.961351 0.250000 Pr\n0.113452 0.038649 0.750000 Pr\n0.113452 0.461351 0.250000 Pr\n0.112797 0.250000 0.000000 Si\n0.887204 0.750000 0.000000 Si\n0.887204 0.750000 0.500000 Si\n0.112797 0.250000 0.500000 Si\n0.401152 0.426569 0.750000 Te\n0.401152 0.073431 0.250000 Te\n0.598848 0.926568 0.750000 Te\n0.598848 0.573431 0.250000 Te\n0.952051 0.230261 0.114832 O\n0.952051 0.269739 0.885168 O\n0.952051 0.269739 0.614832 O\n0.952051 0.230261 0.385168 O\n0.047949 0.730261 0.385168 O\n0.047949 0.730261 0.114832 O\n0.267411 0.422243 0.464194 O\n0.267411 0.077757 0.535806 O\n0.732589 0.577756 0.964194 O\n0.732589 0.577756 0.535806 O\n0.732589 0.922243 0.464194 O\n0.267411 0.077757 0.964194 O\n0.267411 0.422243 0.035806 O\n0.047949 0.769739 0.614832 O\n0.732589 0.922243 0.035806 O\n0.047949 0.769739 0.885168 O\n",
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{
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"created_at": "2022-09-04T14:37:32.540764Z",
"updated_at": "2022-09-04T14:37:32.540784Z",
"structure_string": "Li2 Ni4 P6 O20\n1.0\n0.000000 4.657972 0.276479\n8.186762 0.000000 0.000000\n0.000000 -1.801689 -9.256753\nLi Ni P O\n2 4 6 20\ndirect\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.950522 0.565207 0.671772 Ni\n0.049477 0.065207 0.328227 Ni\n0.049477 0.434793 0.328227 Ni\n0.950522 0.934792 0.671772 Ni\n0.514715 0.750000 0.865487 P\n0.677808 0.750000 0.179049 P\n0.485284 0.250000 0.134513 P\n0.415996 0.750000 0.450929 P\n0.584003 0.250000 0.549071 P\n0.322191 0.250000 0.820950 P\n0.320122 0.093938 0.143304 O\n0.570732 0.250000 0.972428 O\n0.429267 0.750000 0.027572 O\n0.519468 0.250000 0.708759 O\n0.480531 0.750000 0.291241 O\n0.803684 0.250000 0.239268 O\n0.196315 0.750000 0.760731 O\n0.679877 0.593938 0.856695 O\n0.320122 0.406062 0.143304 O\n0.754398 0.094548 0.536796 O\n0.142493 0.094572 0.813927 O\n0.857506 0.594572 0.186072 O\n0.245601 0.905452 0.463204 O\n0.754398 0.405452 0.536796 O\n0.857506 0.905428 0.186072 O\n0.245601 0.594548 0.463204 O\n0.722239 0.750000 0.565089 O\n0.277760 0.250000 0.434910 O\n0.679877 0.906062 0.856695 O\n0.142493 0.405428 0.813927 O\n",
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{
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"created_at": "2022-09-04T14:37:34.093415Z",
"updated_at": "2022-09-04T14:37:34.093441Z",
"structure_string": "Ti20 Sb12\n1.0\n7.209585 -0.000000 0.000000\n-0.000000 8.348185 0.000000\n0.000000 0.000000 10.216298\nTi Sb\n20 12\ndirect\n0.793878 0.936337 0.053800 Ti\n0.826100 0.750000 0.782097 Ti\n0.326099 0.250000 0.717903 Ti\n0.173901 0.250000 0.217903 Ti\n0.673901 0.750000 0.282097 Ti\n0.521429 0.250000 0.995578 Ti\n0.978572 0.250000 0.495578 Ti\n0.478572 0.750000 0.004422 Ti\n0.317319 0.750000 0.735513 Ti\n0.817319 0.250000 0.764487 Ti\n0.021429 0.750000 0.504422 Ti\n0.182681 0.750000 0.235513 Ti\n0.293878 0.436336 0.446200 Ti\n0.793878 0.563664 0.053800 Ti\n0.706123 0.936337 0.553800 Ti\n0.206122 0.063664 0.946200 Ti\n0.706123 0.563664 0.553800 Ti\n0.206122 0.436336 0.946200 Ti\n0.293878 0.063664 0.446200 Ti\n0.682682 0.250000 0.264487 Ti\n0.909357 0.250000 0.025936 Sb\n0.409357 0.750000 0.474065 Sb\n0.435089 0.008867 0.179021 Sb\n0.935089 0.991133 0.320979 Sb\n0.564912 0.508868 0.820979 Sb\n0.435089 0.491133 0.179021 Sb\n0.564912 0.991133 0.820979 Sb\n0.064911 0.008867 0.679021 Sb\n0.935089 0.508868 0.320979 Sb\n0.590644 0.250000 0.525936 Sb\n0.064911 0.491133 0.679021 Sb\n0.090643 0.750000 0.974065 Sb\n",
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{
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{
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"created_at": "2022-09-04T14:37:32.670447Z",
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}