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{
"id": "jvasp-111764",
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{
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"structure_string": "Ta4 Zn6 O16\n1.0\n5.793257 -0.239160 2.103138\n-0.154042 5.796145 2.103138\n-0.215493 -0.212351 9.584484\nTa Zn O\n4 6 16\ndirect\n0.223970 0.939351 0.872340 Ta\n0.776032 0.060650 0.127659 Ta\n0.939351 0.223969 0.372340 Ta\n0.060650 0.776032 0.627659 Ta\n0.365902 0.318719 0.494430 Zn\n0.681282 0.634099 0.005570 Zn\n0.634099 0.681282 0.505569 Zn\n0.318719 0.365902 0.994430 Zn\n0.762331 0.237670 0.750000 Zn\n0.237671 0.762331 0.250000 Zn\n0.985359 0.715807 0.855537 O\n0.284194 0.014642 0.644463 O\n0.141427 0.938590 0.395858 O\n0.820279 0.573964 0.645463 O\n0.938591 0.141427 0.895858 O\n0.715807 0.985359 0.355537 O\n0.014642 0.284194 0.144463 O\n0.420484 0.691635 0.908044 O\n0.308367 0.579518 0.591955 O\n0.579518 0.308366 0.091955 O\n0.691635 0.420484 0.408045 O\n0.573965 0.820279 0.145463 O\n0.179722 0.426037 0.354537 O\n0.426037 0.179722 0.854536 O\n0.858574 0.061411 0.604141 O\n0.061411 0.858574 0.104142 O\n",
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{
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"structure_string": "Nb4 W2 Se12\n1.0\n0.347384 5.943357 0.004129\n-4.973390 3.272450 0.000733\n-1.538139 3.081729 13.012388\nNb W Se\n4 2 12\ndirect\n0.250127 0.916963 0.250009 Nb\n0.416540 0.749705 0.749991 Nb\n0.916744 0.583669 0.249992 Nb\n0.749922 0.083000 0.750009 Nb\n0.083238 0.416454 0.750000 W\n0.583429 0.250213 0.250000 W\n0.213816 0.533567 0.379006 Se\n0.039756 0.699712 0.879085 Se\n0.126710 0.785475 0.620912 Se\n0.626912 0.966954 0.120914 Se\n0.539957 0.881192 0.379088 Se\n0.365934 0.047333 0.879079 Se\n0.800529 0.459265 0.620924 Se\n0.953050 0.293111 0.120998 Se\n0.866139 0.207403 0.379077 Se\n0.713617 0.373558 0.879003 Se\n0.300731 0.619336 0.120922 Se\n0.452850 0.133102 0.620994 Se\n",
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{
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"created_at": "2022-09-04T14:38:39.564733Z",
"updated_at": "2022-09-04T14:38:39.564766Z",
"structure_string": "K4 Tb2 F12\n1.0\n6.632561 0.095309 -0.069967\n-3.232933 5.792071 -0.069967\n-0.042500 -0.073601 7.318472\nTb K F\n2 4 12\ndirect\n0.041106 0.958894 0.249999 Tb\n0.958894 0.041106 0.749999 Tb\n0.369556 0.691478 0.002735 K\n0.308522 0.630445 0.497264 K\n0.691479 0.369555 0.502734 K\n0.630445 0.308522 0.997264 K\n0.009604 0.404858 0.782784 F\n0.595142 0.990396 0.717215 F\n0.670042 0.706257 0.297416 F\n0.157912 0.944547 0.955812 F\n0.706257 0.670042 0.797416 F\n0.404858 0.009604 0.282784 F\n0.990396 0.595142 0.217215 F\n0.944547 0.157912 0.455812 F\n0.842088 0.055453 0.044187 F\n0.055453 0.842088 0.544187 F\n0.329959 0.293743 0.702582 F\n0.293743 0.329958 0.202583 F\n",
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{
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"updated_at": "2022-09-04T14:38:39.793944Z",
"structure_string": "Zn2 Ni2 Ge4 O12\n1.0\n5.143436 -0.049124 0.825008\n0.983063 6.528249 0.501783\n-0.060574 0.018072 6.620609\nZn Ni Ge O\n2 2 4 12\ndirect\n0.750001 0.267793 0.732208 Zn\n0.249999 0.732208 0.267791 Zn\n0.250001 0.090344 0.909655 Ni\n0.750000 0.909656 0.090344 Ni\n0.787065 0.395318 0.205277 Ge\n0.712936 0.794724 0.604681 Ge\n0.212935 0.604683 0.794722 Ge\n0.287063 0.205277 0.395318 Ge\n0.628544 0.973533 0.798430 O\n0.871455 0.201573 0.026469 O\n0.617047 0.630850 0.132897 O\n0.882957 0.867104 0.369148 O\n0.382954 0.369150 0.867103 O\n0.908645 0.569078 0.706850 O\n0.091355 0.430922 0.293149 O\n0.408643 0.706851 0.569077 O\n0.128545 0.798428 0.973531 O\n0.591359 0.293150 0.430922 O\n0.117044 0.132896 0.630853 O\n0.371457 0.026467 0.201569 O\n",
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{
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"created_at": "2022-09-04T14:38:40.280241Z",
"updated_at": "2022-09-04T14:38:40.280268Z",
"structure_string": "Ca6 In4 N8\n1.0\n7.001528 -0.000240 0.051077\n-5.426566 6.822328 0.000000\n0.015386 0.012238 5.966839\nCa In N\n6 4 8\ndirect\n0.222755 0.980234 0.052333 Ca\n0.777245 0.757478 0.447668 Ca\n0.777245 0.019767 0.947668 Ca\n0.222756 0.242523 0.552333 Ca\n0.000000 0.613970 0.750000 Ca\n0.000000 0.386030 0.250000 Ca\n0.598802 0.419905 0.117874 In\n0.401198 0.821103 0.382126 In\n0.598803 0.178898 0.617875 In\n0.401198 0.580096 0.882126 In\n0.299049 0.746008 0.035330 N\n0.213919 0.944487 0.507910 N\n0.786082 0.730569 0.992090 N\n0.786081 0.055514 0.492090 N\n0.213919 0.269432 0.007910 N\n0.700952 0.253992 0.964670 N\n0.299049 0.553041 0.535330 N\n0.700952 0.446959 0.464670 N\n",
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{
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"structure_string": "K4 Se4 O14\n1.0\n7.449099 0.020215 0.400359\n3.631452 6.504001 0.400359\n0.039573 0.023301 7.505451\nK Se O\n4 4 14\ndirect\n0.791472 0.496461 0.632762 K\n0.503539 0.208527 0.867238 K\n0.208528 0.503538 0.367238 K\n0.496461 0.791472 0.132762 K\n0.285912 0.929200 0.625510 Se\n0.070799 0.714088 0.874491 Se\n0.714088 0.070799 0.374491 Se\n0.929201 0.285911 0.125510 Se\n0.166780 0.183525 0.045906 O\n0.816475 0.833219 0.454094 O\n0.833220 0.816474 0.954094 O\n0.183525 0.166780 0.545906 O\n0.866180 0.466437 0.270803 O\n0.533562 0.133820 0.229197 O\n0.639110 0.250360 0.523251 O\n0.466438 0.866179 0.770803 O\n0.749640 0.360889 0.976749 O\n0.060058 0.939942 0.750000 O\n0.250360 0.639110 0.023251 O\n0.360890 0.749639 0.476749 O\n0.133820 0.533562 0.729197 O\n0.939942 0.060057 0.250000 O\n",
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{
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"created_at": "2022-09-04T14:38:40.591033Z",
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"structure_string": "Sr4 Ca2 I12\n1.0\n8.410366 -0.013638 0.447800\n-4.471051 7.123493 0.447800\n-0.156929 -0.283233 12.843150\nSr Ca I\n4 2 12\ndirect\n0.295629 0.583673 0.575256 Sr\n0.416328 0.704371 0.924744 Sr\n0.583673 0.295629 0.075256 Sr\n0.704371 0.416327 0.424744 Sr\n-0.013760 0.013760 0.250000 Ca\n0.013760 -0.013759 0.750000 Ca\n0.986835 0.257095 0.432591 I\n0.742905 0.013166 0.067409 I\n0.621415 0.933026 0.694658 I\n0.411396 0.276501 0.628966 I\n0.588605 0.723499 0.371034 I\n0.013166 0.742904 0.567409 I\n0.257096 0.986834 0.932591 I\n0.066974 0.378585 0.805342 I\n0.933027 0.621414 0.194658 I\n0.276501 0.411395 0.128966 I\n0.378585 0.066973 0.305342 I\n0.723500 0.588605 0.871034 I\n",
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{
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"updated_at": "2022-09-04T14:38:40.862141Z",
"structure_string": "Mn6 Cr4 N8\n1.0\n6.049464 -0.057647 -0.377530\n-3.406327 5.499444 -0.000000\n0.023247 0.014399 5.386984\nMn Cr N\n6 4 8\ndirect\n0.360905 0.086593 0.948682 Mn\n0.639094 0.725686 0.551317 Mn\n0.639094 0.913406 0.051317 Mn\n0.360904 0.274312 0.448682 Mn\n-0.000000 0.675213 0.749999 Mn\n-0.000000 0.324786 0.250000 Mn\n0.684399 0.488591 0.131944 Cr\n0.315599 0.804191 0.368055 Cr\n0.684400 0.195808 0.631944 Cr\n0.315599 0.511408 0.868055 Cr\n0.262511 0.753211 0.021122 N\n0.278963 0.992709 0.608823 N\n0.721035 0.713745 0.891176 N\n0.721035 0.007290 0.391177 N\n0.278964 0.286254 0.108823 N\n0.737487 0.246788 0.978878 N\n0.262512 0.509300 0.521121 N\n0.737487 0.490699 0.478878 N\n",
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{
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"created_at": "2022-09-04T14:38:41.215398Z",
"updated_at": "2022-09-04T14:38:41.215415Z",
"structure_string": "Mg4 Nb2 N6\n1.0\n5.227495 0.005799 2.236486\n1.576906 4.983986 2.236486\n0.006352 0.004658 5.740155\nMg Nb N\n4 2 6\ndirect\n0.754382 0.915862 0.077216 Mg\n0.084139 0.245620 0.422784 Mg\n0.245619 0.084140 0.922783 Mg\n0.915862 0.754381 0.577216 Mg\n0.410700 0.589301 0.750000 Nb\n0.589301 0.410700 0.250000 Nb\n0.096410 0.903591 0.750000 N\n0.903591 0.096410 0.250000 N\n0.729148 0.587464 0.424455 N\n0.412538 0.270853 0.075545 N\n0.270853 0.412538 0.575545 N\n0.587463 0.729148 0.924454 N\n",
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{
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"created_at": "2022-09-04T14:38:41.058447Z",
"updated_at": "2022-09-04T14:38:41.058481Z",
"structure_string": "Mg6 Bi4 N8\n1.0\n7.071286 0.005265 -0.948515\n-7.672763 7.040397 0.000000\n0.011437 0.012464 5.446830\nMg Bi N\n6 4 8\ndirect\n0.220999 0.029801 0.142879 Mg\n0.779003 0.808803 0.357123 Mg\n0.779003 0.970200 0.857122 Mg\n0.220999 0.191198 0.642879 Mg\n0.000000 0.726055 0.750000 Mg\n0.000000 0.273945 0.250000 Mg\n0.645711 0.439147 0.195394 Bi\n0.354292 0.793438 0.304607 Bi\n0.645710 0.206563 0.695394 Bi\n0.354291 0.560853 0.804607 Bi\n0.359970 0.783756 0.884433 N\n0.186999 0.971879 0.532686 N\n0.813004 0.784881 0.967315 N\n0.813003 0.028122 0.467315 N\n0.186998 0.215120 0.032686 N\n0.640032 0.216244 0.115569 N\n0.359970 0.576213 0.384433 N\n0.640032 0.423787 0.615568 N\n",
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}