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{
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"structure_string": "Mo2 H16 N4 O8\n1.0\n6.520187 0.021370 2.910813\n3.193702 5.684502 2.910813\n0.059441 0.034915 7.701757\nMo H N O\n2 16 4 8\ndirect\n0.832639 0.832639 0.724482 Mo\n0.167361 0.167361 0.275517 Mo\n0.909607 0.909606 0.254478 H\n0.090393 0.090394 0.745521 H\n0.095309 0.346599 0.695125 H\n0.904691 0.653401 0.304874 H\n0.346599 0.095310 0.695125 H\n0.139619 0.139620 0.913118 H\n0.860381 0.860381 0.086881 H\n0.653401 0.904690 0.304874 H\n0.416004 0.670570 0.638074 H\n0.670569 0.416004 0.638074 H\n0.583996 0.329431 0.361926 H\n0.563797 0.563797 0.158249 H\n0.436203 0.436203 0.841750 H\n0.420144 0.420144 0.206428 H\n0.579855 0.579856 0.793572 H\n0.329430 0.583996 0.361926 H\n0.167278 0.167279 0.761863 N\n0.832722 0.832721 0.238137 N\n0.476356 0.476356 0.271244 N\n0.523643 0.523644 0.728756 N\n0.680539 0.680540 0.908279 O\n0.929494 0.929495 0.832962 O\n0.070505 0.070506 0.167038 O\n0.363258 0.922619 0.423444 O\n0.077381 0.636743 0.576556 O\n0.636742 0.077381 0.576556 O\n0.922619 0.363258 0.423444 O\n0.319461 0.319461 0.091720 O\n",
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"structure_string": "W2 S16 Cl12\n1.0\n7.934060 0.000255 -0.060608\n-0.015015 7.954894 -0.060661\n-2.326220 -1.484950 12.031917\nW S Cl\n2 16 12\ndirect\n0.712505 0.224145 0.894401 W\n0.287496 0.775854 0.105599 W\n0.379436 0.508368 0.598211 S\n0.620565 0.491631 0.401789 S\n0.762053 0.598650 0.302520 S\n0.019944 0.590118 0.374620 S\n0.980057 0.409881 0.625380 S\n0.122714 0.383397 0.294426 S\n0.877287 0.616602 0.705574 S\n0.237948 0.401349 0.697480 S\n0.870318 0.815571 0.610986 S\n0.917759 0.025733 0.324006 S\n0.082242 0.974266 0.675994 S\n0.728503 0.085215 0.415942 S\n0.271498 0.914784 0.584058 S\n0.555291 0.242932 0.333627 S\n0.444709 0.757067 0.666373 S\n0.129683 0.184428 0.389014 S\n0.007383 0.687582 0.100190 Cl\n0.992618 0.312416 0.899810 Cl\n0.372503 0.497423 0.105176 Cl\n0.627498 0.502576 0.894824 Cl\n0.567467 0.864190 0.110692 Cl\n0.240113 0.742600 0.914236 Cl\n0.342259 0.811797 0.298388 Cl\n0.657742 0.188202 0.701612 Cl\n0.759888 0.257399 0.085764 Cl\n0.801425 0.947116 0.893780 Cl\n0.432534 0.135809 0.889309 Cl\n0.198576 0.052883 0.106220 Cl\n",
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{
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"structure_string": "H12 C14 O4\n1.0\n5.914565 -0.027223 2.308017\n0.687643 4.969047 3.361943\n0.249072 -0.184402 8.924809\nH C O\n12 14 4\ndirect\n0.128906 0.964201 0.553590 H\n0.406866 0.254453 0.864424 H\n0.406865 0.754453 0.364424 H\n0.684250 0.275099 0.517120 H\n0.960650 0.576149 0.817321 H\n0.960651 0.076149 0.317321 H\n0.684248 0.775100 0.017120 H\n0.068680 0.920594 0.819329 H\n0.038288 0.118641 0.922661 H\n0.038288 0.618640 0.422661 H\n0.128906 0.464199 0.053590 H\n0.068681 0.420593 0.319328 H\n0.698502 0.898353 0.334623 C\n0.465392 0.370235 0.897575 C\n0.465393 0.870235 0.397574 C\n0.311083 0.487893 0.003783 C\n0.311082 0.987895 0.503783 C\n0.698503 0.398353 0.834623 C\n0.392705 0.629193 0.048451 C\n0.625316 0.164288 0.480218 C\n0.778306 0.550947 0.871187 C\n0.778306 0.050946 0.371187 C\n0.625316 0.664289 0.980217 C\n0.051839 0.622347 0.295434 C\n0.051843 0.122347 0.795434 C\n0.392705 0.129193 0.548451 C\n0.847840 0.764553 0.237760 O\n0.252092 0.243536 0.659835 O\n0.252092 0.743537 0.159834 O\n0.847840 0.264553 0.737760 O\n",
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{
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"created_at": "2022-09-04T14:38:34.109971Z",
"updated_at": "2022-09-04T14:38:34.110001Z",
"structure_string": "Y2 Ni6 Se4 Cl2 O16\n1.0\n0.000000 6.842299 -0.000185\n6.289698 0.000000 0.000000\n0.000000 -0.000511 -9.436107\nY Ni Se Cl O\n2 6 4 2 16\ndirect\n0.261962 0.750000 0.750000 Y\n0.738038 0.250000 0.250000 Y\n0.000000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.208590 0.250000 0.250000 Ni\n0.791410 0.750000 0.750000 Ni\n0.000000 0.000000 0.500000 Ni\n0.592412 0.750000 0.437450 Se\n0.407588 0.250000 0.562550 Se\n0.407585 0.250000 0.937451 Se\n0.592415 0.750000 0.062549 Se\n0.173116 0.750000 0.250002 Cl\n0.826885 0.250000 0.749998 Cl\n0.250551 0.034687 0.588106 O\n0.250551 0.465313 0.588106 O\n0.749450 0.534687 0.088105 O\n0.015270 0.250000 0.389916 O\n0.984730 0.750000 0.610084 O\n0.749450 0.965314 0.088105 O\n0.250550 0.034687 0.911895 O\n0.984730 0.750000 0.889915 O\n0.749449 0.965313 0.411894 O\n0.749449 0.534687 0.411894 O\n0.250550 0.465314 0.911895 O\n0.425976 0.250000 0.378875 O\n0.574024 0.750000 0.878876 O\n0.425976 0.250000 0.121123 O\n0.015271 0.250000 0.110085 O\n0.574024 0.750000 0.621125 O\n",
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{
"id": "jvasp-113041",
"created_at": "2022-09-04T14:38:43.670326Z",
"updated_at": "2022-09-04T14:38:43.670337Z",
"structure_string": "Ba6 Zr2 Ir4 O18\n1.0\n5.849788 0.000000 0.000000\n-2.924894 5.066064 0.000000\n-0.000000 -0.000000 14.547022\nBa Zr Ir O\n6 2 4 18\ndirect\n0.333334 0.666666 0.093544 Ba\n0.666667 0.333333 0.906456 Ba\n0.666667 0.333333 0.593544 Ba\n0.333334 0.666666 0.406456 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.333334 0.666666 0.839280 Ir\n0.666667 0.333333 0.160720 Ir\n0.666667 0.333333 0.339280 Ir\n0.333334 0.666666 0.660720 Ir\n0.017058 0.508528 0.750000 O\n0.982943 0.491471 0.250000 O\n0.491472 0.982941 0.750000 O\n0.508529 0.017058 0.250000 O\n0.169135 0.830864 0.918165 O\n0.830865 0.169135 0.081834 O\n0.661731 0.830864 0.918165 O\n0.830865 0.169135 0.418166 O\n0.661731 0.830864 0.581834 O\n0.169135 0.830864 0.581834 O\n0.169135 0.338270 0.918165 O\n0.338270 0.169135 0.418166 O\n0.830866 0.661729 0.081834 O\n0.508529 0.491471 0.250000 O\n0.830866 0.661729 0.418166 O\n0.169135 0.338270 0.581834 O\n0.338270 0.169135 0.081834 O\n0.491472 0.508528 0.750000 O\n",
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{
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"created_at": "2022-09-04T14:38:33.914961Z",
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"structure_string": "Pu6 F24\n1.0\n7.389546 -0.017798 3.762050\n-0.381795 7.379698 3.762050\n0.004807 0.005050 8.294575\nPu F\n6 24\ndirect\n0.633289 0.777792 0.668561 Pu\n0.366713 0.222208 0.331439 Pu\n0.222209 0.366712 0.831439 Pu\n0.777792 0.633288 0.168561 Pu\n0.786425 0.213575 0.750000 Pu\n0.213576 0.786425 0.250000 Pu\n0.498295 0.742775 0.214964 F\n0.742776 0.498294 0.714964 F\n0.257225 0.501706 0.285036 F\n0.402573 0.815615 0.927150 F\n0.815616 0.402572 0.427150 F\n0.184386 0.597428 0.572850 F\n0.501706 0.257225 0.785036 F\n0.726453 0.030913 0.645914 F\n0.273548 0.969087 0.354086 F\n0.597428 0.184385 0.072850 F\n0.000000 0.500000 -0.000000 F\n0.398328 0.601673 0.750000 F\n0.601674 0.398327 0.250000 F\n0.969088 0.273547 0.854086 F\n0.935218 0.826684 0.454747 F\n0.064784 0.173316 0.545253 F\n0.173316 0.064784 0.045253 F\n0.826686 0.935216 0.954747 F\n0.256777 0.318076 0.106764 F\n0.743225 0.681924 0.893235 F\n0.681925 0.743224 0.393235 F\n0.318076 0.256776 0.606765 F\n0.500000 -0.000000 0.500000 F\n0.030913 0.726453 0.145913 F\n",
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{
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"updated_at": "2022-09-04T14:38:44.730289Z",
"structure_string": "Ce6 Mg23 P1\n1.0\n8.804424 0.000000 5.083237\n2.934808 8.300891 5.083237\n-0.000000 -0.000000 10.166473\nCe Mg P\n6 23 1\ndirect\n0.800538 0.800538 0.199462 Ce\n0.199462 0.800538 0.199462 Ce\n0.800538 0.199462 0.199462 Ce\n0.199462 0.199462 0.800538 Ce\n0.800538 0.199462 0.800539 Ce\n0.199462 0.800538 0.800538 Ce\n0.378992 0.863023 0.378993 Mg\n0.863022 0.378992 0.378993 Mg\n0.378992 0.378992 0.378993 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.378992 0.378992 0.863023 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.621007 0.621008 0.621008 Mg\n0.621007 0.621008 0.136978 Mg\n0.621007 0.136977 0.621008 Mg\n0.500000 0.500000 0.500000 Mg\n0.169878 0.169878 0.169878 Mg\n0.490366 0.169878 0.169879 Mg\n0.169878 0.490366 0.169878 Mg\n0.169878 0.169878 0.490366 Mg\n0.830122 0.830122 0.830122 Mg\n0.509634 0.830122 0.830122 Mg\n0.830121 0.509634 0.830122 Mg\n0.830122 0.830122 0.509634 Mg\n0.136977 0.621008 0.621008 Mg\n0.000000 0.000000 0.000000 P\n",
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{
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"structure_string": "Mn6 Pb6 O18\n1.0\n5.522675 0.000000 0.181267\n2.761337 4.782095 0.090633\n-0.050725 0.000000 13.596629\nMn Pb O\n6 6 18\ndirect\n0.000000 0.000000 0.000000 Mn\n-0.000000 -0.000000 0.500000 Mn\n0.672618 0.674137 0.844907 Mn\n0.653244 0.674137 0.655093 Mn\n0.327380 0.325864 0.155093 Mn\n0.346754 0.325864 0.344907 Mn\n0.329222 0.341824 0.591492 Pb\n0.328951 0.341824 0.908508 Pb\n0.670776 0.658177 0.408508 Pb\n0.990883 0.018231 0.750000 Pb\n0.009116 0.981770 0.250000 Pb\n0.671047 0.658177 0.091492 Pb\n0.788857 0.328889 0.582090 O\n0.206766 0.167147 0.438500 O\n0.626088 0.167147 0.061500 O\n0.288695 0.828257 0.595152 O\n0.883045 0.828257 0.904848 O\n0.711303 0.171744 0.404848 O\n0.116953 0.171744 0.095152 O\n0.882251 0.328889 0.917910 O\n0.039749 0.473303 0.261214 O\n0.117747 0.671112 0.082090 O\n0.513050 0.526698 0.761214 O\n0.960249 0.526698 0.738786 O\n0.486948 0.473303 0.238786 O\n0.373911 0.832854 0.938500 O\n0.513282 0.973434 0.750000 O\n0.486716 0.026567 0.250000 O\n0.211141 0.671112 0.417910 O\n0.793232 0.832854 0.561500 O\n",
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"structure_string": "Ti1 H16 C9 O4\n1.0\n4.706888 -0.071241 -0.974972\n-1.248160 7.130635 0.100103\n-0.130413 0.227777 7.780105\nTi H C O\n1 16 9 4\ndirect\n0.817750 0.266369 0.245368 Ti\n0.861760 0.406964 0.823676 H\n0.112391 0.345599 0.708449 H\n0.198413 0.723074 0.896799 H\n0.027353 0.681446 0.674100 H\n0.614472 0.593635 0.285006 H\n0.665754 0.718569 0.842456 H\n0.525973 0.562338 0.663907 H\n-0.034022 0.576984 0.418103 H\n0.333583 0.802439 0.471118 H\n0.709305 0.874248 0.550888 H\n0.325217 -0.004955 0.110237 H\n0.643133 0.107130 0.742838 H\n0.269437 0.009565 0.726423 H\n0.629764 0.903322 0.239699 H\n0.930532 0.644732 0.189730 H\n0.635032 0.981940 0.019238 H\n0.090943 0.429911 0.817314 C\n0.195050 0.639812 0.781180 C\n0.488212 0.686723 0.725870 C\n0.499537 0.847600 0.590578 C\n0.254351 0.358511 0.987867 C\n0.362924 0.157203 0.497157 C\n0.825784 0.557293 0.285235 C\n0.561691 0.006979 0.138940 C\n0.445965 0.034477 0.654930 C\n0.518804 0.352551 0.011746 O\n0.553147 0.236427 0.415821 O\n0.106291 0.303699 0.108490 O\n0.094035 0.171476 0.449024 O\n",
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{
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