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{
"id": "jvasp-104135",
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{
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{
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"structure_string": "Pu2 Fe2 C4\n1.0\n3.527506 0.000000 0.000000\n-0.000000 3.527506 -0.000000\n0.000000 0.000000 7.257915\nPu Fe C\n2 2 4\ndirect\n0.750001 0.750001 0.672607 Pu\n0.250000 0.250000 0.327394 Pu\n0.750001 0.250000 0.000000 Fe\n0.250000 0.750001 0.000000 Fe\n0.750001 0.750001 0.145696 C\n0.250000 0.250000 0.854304 C\n0.750001 0.750001 0.348832 C\n0.250000 0.250000 0.651168 C\n",
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{
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"structure_string": "Hf1 Os3\n1.0\n3.983782 0.000000 0.000000\n-0.000000 3.983782 -0.000000\n0.000000 -0.000000 3.983782\nHf Os\n1 3\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.000000 Os\n0.500000 0.000000 0.500000 Os\n0.000000 0.500000 0.500000 Os\n",
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{
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"structure_string": "H10 C16 S1 O1\n1.0\n3.821622 0.151740 0.033362\n-1.464159 5.547115 -1.135871\n0.294565 -0.047444 12.487351\nH C S O\n10 16 1 1\ndirect\n0.354874 0.797624 0.024434 H\n0.966669 0.421078 0.524036 H\n0.583631 0.720391 0.887883 H\n0.495962 0.548457 0.423723 H\n0.756315 0.148382 0.108694 H\n0.211097 0.022164 0.199465 H\n0.603524 0.374993 0.285034 H\n0.824716 0.611405 0.692736 H\n0.100981 0.204365 0.345555 H\n0.364070 0.763759 0.600856 H\n0.652764 0.111717 0.578220 C\n0.862066 0.228963 0.502621 C\n0.106433 0.830147 0.181775 C\n0.529096 0.539107 0.840778 C\n0.938109 0.104231 0.400537 C\n0.191549 0.702298 0.080611 C\n0.660832 0.478351 0.733029 C\n0.896673 0.720761 0.259416 C\n0.527008 0.863437 0.545345 C\n0.567030 0.239021 0.685037 C\n0.812079 0.855663 0.367227 C\n0.068798 0.454828 0.055924 C\n0.769192 0.471515 0.229509 C\n0.602850 0.740004 0.443320 C\n0.852621 0.341218 0.130266 C\n0.328345 0.340911 0.873798 C\n0.307945 0.082090 0.775042 S\n0.141055 0.295244 0.964263 O\n",
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{
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"structure_string": "Ta2 Cu1 Os1\n1.0\n-8.435329 -0.000000 -4.870139\n-8.643971 -0.023156 5.231517\n-5.682184 8.354041 0.101552\nTa Cu Os\n2 1 1\ndirect\n0.733783 -0.000000 -0.000000 Ta\n0.266217 -0.000000 -0.000000 Ta\n0.000000 0.000000 0.000000 Cu\n0.500000 -0.000000 -0.000000 Os\n",
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{
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"created_at": "2022-09-04T14:37:01.471079Z",
"updated_at": "2022-09-04T14:37:01.471098Z",
"structure_string": "Nb1 B1 W1\n1.0\n0.000000 2.952562 2.952562\n2.952562 -0.000000 2.952562\n2.952562 2.952562 0.000000\nNb B W\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Nb\n0.500000 0.500000 0.500000 B\n0.000000 0.000000 0.000000 W\n",
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{
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"created_at": "2022-09-04T14:37:07.221869Z",
"updated_at": "2022-09-04T14:37:07.221897Z",
"structure_string": "H18 C26 N2 O2\n1.0\n3.673133 0.121455 0.000428\n0.871240 8.244315 0.966402\n-0.887696 0.169603 14.632426\nH C N O\n18 26 2 2\ndirect\n0.058972 0.005474 0.930091 H\n0.256489 0.420057 0.359250 H\n0.756489 0.420057 0.859250 H\n0.802770 0.453047 0.222607 H\n0.771983 0.720450 0.495870 H\n0.271985 0.720450 -0.004131 H\n0.010417 0.198168 0.444288 H\n0.510417 0.198169 0.944288 H\n0.049330 0.918873 0.177638 H\n0.302771 0.453046 0.722607 H\n0.026833 0.039400 0.598314 H\n0.526833 0.039400 0.098314 H\n0.258949 0.633434 0.241932 H\n0.758948 0.633434 0.741932 H\n0.307671 0.608910 0.568546 H\n0.807672 0.608911 0.068546 H\n0.558971 0.005474 0.430091 H\n0.549330 0.918873 0.677638 H\n0.170211 0.235156 0.672112 C\n0.217269 0.923522 0.889764 C\n0.717269 0.923523 0.389764 C\n0.737410 0.485690 0.074764 C\n0.237410 0.485689 0.574765 C\n0.239294 0.397736 0.661138 C\n0.838385 0.764037 0.426804 C\n0.739294 0.397737 0.161138 C\n0.653683 0.157566 0.267812 C\n0.153683 0.157565 0.767812 C\n0.670210 0.235156 0.172112 C\n0.338386 0.764037 0.926804 C\n0.035616 0.655297 0.374032 C\n0.101104 0.715023 0.282723 C\n0.155454 0.413664 0.495459 C\n0.655453 0.413664 0.995460 C\n0.783845 0.984650 0.299105 C\n0.283846 0.984650 0.799105 C\n0.095732 0.163011 0.592555 C\n0.595732 0.163012 0.092555 C\n0.601103 0.715023 0.782723 C\n0.085347 0.251246 0.505669 C\n0.585347 0.251247 0.005669 C\n0.980916 0.875774 0.246722 C\n0.480916 0.875774 0.746722 C\n0.535615 0.655297 0.874032 C\n0.655784 0.494288 0.905983 N\n0.155784 0.494288 0.405982 N\n0.528481 0.247373 0.325055 O\n0.028481 0.247373 0.825055 O\n",
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"structure_string": "Yb1 Pu3\n1.0\n-2.388581 2.388581 4.782096\n2.388581 -2.388581 4.782096\n2.388581 2.388581 -4.782096\nYb Pu\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.749999 0.250000 0.499999 Pu\n0.250000 0.749999 0.499999 Pu\n0.500000 0.500000 -0.000000 Pu\n",
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{
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"structure_string": "Nb2 Ru1 W1\n1.0\n-0.000000 3.213099 3.213099\n3.213099 0.000000 3.213099\n3.213099 3.213099 -0.000000\nNb Ru W\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.499999 0.499999 0.499999 Nb\n0.249999 0.249999 0.249999 Ru\n0.750001 0.750001 0.750001 W\n",
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"structure_string": "Pu4 B16 Os4\n1.0\n3.574163 0.000000 0.000000\n0.000000 5.999800 0.000000\n0.000000 0.000000 11.616958\nPu B Os\n4 16 4\ndirect\n0.000000 0.127342 0.850179 Pu\n0.000000 0.872658 0.149821 Pu\n0.000000 0.372658 0.350179 Pu\n0.000000 0.627342 0.649822 Pu\n0.500000 0.971436 0.691451 B\n0.500000 0.028564 0.308549 B\n0.500000 0.528564 0.191451 B\n0.500000 0.471436 0.808549 B\n0.500000 0.886323 0.546605 B\n0.500000 0.113677 0.453395 B\n0.500000 0.613677 0.046605 B\n0.500000 0.386323 0.953395 B\n0.500000 0.864731 0.969227 B\n0.500000 0.135269 0.030773 B\n0.500000 0.635269 0.469227 B\n0.500000 0.364731 0.530774 B\n0.500000 0.787495 0.813088 B\n0.500000 0.212505 0.186912 B\n0.500000 0.712505 0.313088 B\n0.500000 0.287495 0.686912 B\n0.000000 0.139243 0.593275 Os\n0.000000 0.860757 0.406725 Os\n0.000000 0.360757 0.093275 Os\n0.000000 0.639243 0.906725 Os\n",
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{
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}