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{
"id": "jvasp-40611",
"created_at": "2022-09-04T14:37:45.878418Z",
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"structure_string": "Pu2 Si6\n1.0\n2.964849 -5.135269 -0.000000\n2.964849 5.135269 -0.000000\n-0.000000 -0.000000 4.503033\nPu Si\n2 6\ndirect\n0.666667 0.333333 0.250000 Pu\n0.333333 0.666667 0.749999 Pu\n0.855348 0.710695 0.749999 Si\n0.855348 0.144653 0.749999 Si\n0.289305 0.144653 0.749999 Si\n0.144653 0.289305 0.250000 Si\n0.144653 0.855348 0.250000 Si\n0.710695 0.855348 0.250000 Si\n",
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{
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"structure_string": "Ti3 Nb1\n1.0\n-1.965072 1.965072 4.486021\n1.965072 -1.965072 4.486021\n1.965072 1.965072 -4.486021\nTi Nb\n3 1\ndirect\n0.750002 0.250001 0.500002 Ti\n0.250001 0.750002 0.500002 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Nb\n",
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{
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"structure_string": "Ga2 H26 C8 N4\n1.0\n5.811723 -0.018060 1.734694\n1.296025 6.647275 1.038347\n-0.013930 0.069511 8.551755\nGa H C N\n2 26 8 4\ndirect\n0.443774 0.911468 0.872499 Ga\n0.556226 0.088533 0.127501 Ga\n0.130060 0.868043 0.202920 H\n0.349092 0.155600 0.547304 H\n0.181618 0.925110 0.877064 H\n0.655140 0.587169 0.531405 H\n0.314443 0.485204 0.937249 H\n0.001919 0.405069 0.364700 H\n0.134536 0.300446 0.969618 H\n0.604587 0.230567 0.408770 H\n0.030771 0.227102 0.226110 H\n0.685557 0.514797 0.062751 H\n0.865464 0.699555 0.030383 H\n0.699907 0.252318 0.657587 H\n0.986968 0.854314 0.563474 H\n0.869940 0.131958 0.797080 H\n0.650908 0.844401 0.452696 H\n0.281652 0.384849 0.767074 H\n0.013032 0.145687 0.436526 H\n0.718348 0.615152 0.232926 H\n0.969229 0.772898 0.773890 H\n0.395413 0.769434 0.591230 H\n0.265182 0.608269 0.194749 H\n0.344860 0.412831 0.468596 H\n0.300093 0.747683 0.342414 H\n0.734818 0.391732 0.805252 H\n0.818382 0.074891 0.122937 H\n0.998081 0.594932 0.635300 H\n0.286267 0.756820 0.215811 C\n0.587241 0.743344 0.564176 C\n0.296844 0.347523 0.894155 C\n0.703156 0.652478 0.105846 C\n0.913209 0.749135 0.668366 C\n0.713733 0.243181 0.784190 C\n0.086791 0.250866 0.331634 C\n0.412759 0.256657 0.435824 C\n0.499052 0.815185 0.097824 N\n0.661093 0.775724 0.703662 N\n0.338907 0.224277 0.296339 N\n0.500948 0.184816 0.902176 N\n",
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"formula_full": "Ga2 H26 C8 N4",
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{
"id": "jvasp-103814",
"created_at": "2022-09-04T14:36:52.971144Z",
"updated_at": "2022-09-04T14:36:52.971175Z",
"structure_string": "H6 C4 S2 N2 O2\n1.0\n4.167958 0.067750 0.135451\n1.943747 6.206531 0.178332\n-0.101585 -0.242082 6.816741\nH C S N O\n6 4 2 2 2\ndirect\n0.895900 0.967169 0.157218 H\n0.895902 0.467169 0.657214 H\n0.657599 0.869176 0.332894 H\n0.657601 0.369179 0.832893 H\n0.171987 0.777864 0.537813 H\n0.171994 0.277865 0.037810 H\n0.915717 0.852149 0.276744 C\n0.915719 0.352151 0.776743 C\n0.080203 0.124435 0.699983 C\n0.080203 0.624434 0.199982 C\n0.364186 0.933689 0.817170 S\n0.364186 0.433688 0.317168 S\n0.138099 0.890562 0.427996 N\n0.138102 0.390566 0.927992 N\n0.960141 0.098782 0.523448 O\n0.960141 0.598783 0.023447 O\n",
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{
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"created_at": "2022-09-04T14:36:50.183218Z",
"updated_at": "2022-09-04T14:36:50.183243Z",
"structure_string": "W2 N2\n1.0\n2.844628 -0.002647 0.003605\n0.003226 3.463673 0.031169\n-0.005272 -0.037480 4.175060\nW N\n2 2\ndirect\n0.628719 0.202566 0.001863 W\n0.128718 0.549797 0.501869 W\n0.635585 0.040339 0.501864 N\n0.135563 0.712015 0.001867 N\n",
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{
"id": "jvasp-16049",
"created_at": "2022-09-04T14:35:41.777485Z",
"updated_at": "2022-09-04T14:35:41.777513Z",
"structure_string": "Th1 Si2 Tc2\n1.0\n3.993326 -0.000000 -1.533110\n-0.588589 3.949711 -1.533110\n-0.066704 -0.077381 5.793562\nTh Si Tc\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.630678 0.630677 0.261354 Si\n0.369324 0.369323 0.738646 Si\n0.750001 0.250000 0.500000 Tc\n0.250001 0.750000 0.500000 Tc\n",
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{
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"created_at": "2022-09-04T14:36:07.670550Z",
"updated_at": "2022-09-04T14:36:07.670562Z",
"structure_string": "H2 C2 S1\n1.0\n2.844779 -0.000000 0.000000\n-1.422389 2.463651 0.000000\n0.000000 -0.000000 5.725831\nH C S\n2 2 1\ndirect\n0.666668 0.333333 0.640948 H\n0.333333 0.666665 0.359052 H\n0.333333 0.666665 0.166993 C\n0.666668 0.333333 0.833005 C\n0.000000 0.000000 0.000000 S\n",
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{
"id": "jvasp-75706",
"created_at": "2022-09-04T14:35:53.866100Z",
"updated_at": "2022-09-04T14:35:53.866138Z",
"structure_string": "Nb1 As1 Ir2\n1.0\n0.000000 3.172168 3.172168\n3.172168 -0.000000 3.172168\n3.172168 3.172168 -0.000000\nNb As Ir\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Nb\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Ir\n0.250000 0.250000 0.250000 Ir\n",
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{
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"structure_string": "Sm2 Cr2 Fe15\n1.0\n6.261498 0.014082 0.817901\n0.719822 6.220001 0.817901\n0.015771 0.014082 6.314671\nSm Cr Fe\n2 2 15\ndirect\n0.344410 0.344410 0.344410 Sm\n0.655590 0.655589 0.655589 Sm\n0.088892 0.088892 0.088892 Cr\n0.911108 0.911108 0.911108 Cr\n0.336675 0.845768 0.336675 Fe\n-0.000000 -0.000000 0.500000 Fe\n0.500000 -0.000000 -0.000000 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.294113 0.705887 -0.000000 Fe\n-0.000000 0.294113 0.705887 Fe\n0.705887 0.294113 -0.000000 Fe\n-0.000000 0.705887 0.294113 Fe\n0.294113 -0.000000 0.705887 Fe\n0.663325 0.154231 0.663324 Fe\n0.663324 0.663324 0.154232 Fe\n0.154232 0.663324 0.663324 Fe\n0.845768 0.336675 0.336675 Fe\n0.336675 0.336675 0.845768 Fe\n0.705887 -0.000000 0.294113 Fe\n",
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{
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}