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{
"id": "jvasp-109478",
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"structure_string": "Rb2 Tb1 Au1 Cl6\n1.0\n6.529613 -0.000000 3.769874\n2.176538 6.156178 3.769874\n-0.000000 -0.000000 7.539747\nTb Rb Au Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Au\n0.753687 0.246312 0.246312 Cl\n0.246312 0.246312 0.753688 Cl\n0.246312 0.753688 0.753687 Cl\n0.246312 0.753688 0.246312 Cl\n0.753687 0.246312 0.753688 Cl\n0.753688 0.753688 0.246312 Cl\n",
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"structure_string": "Zn1 Fe4 S8\n1.0\n5.727460 -0.094263 4.219156\n2.080288 5.337143 4.219156\n-0.140376 -0.094263 7.112340\nZn Fe S\n1 4 8\ndirect\n0.500000 0.500001 0.500000 Zn\n0.500001 0.999999 0.500002 Fe\n0.999999 0.500001 0.500002 Fe\n0.500000 0.500000 0.000001 Fe\n0.000000 0.000000 0.000000 Fe\n0.758132 0.267286 0.758133 S\n0.241866 0.241868 0.732715 S\n0.241867 0.732715 0.241867 S\n0.732713 0.241868 0.241868 S\n0.261165 0.261167 0.261166 S\n0.738834 0.738835 0.738835 S\n0.267286 0.758134 0.758133 S\n0.758133 0.758134 0.267287 S\n",
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{
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"structure_string": "Ca3 Bi1 As1\n1.0\n5.491650 -0.000000 0.000000\n-0.000000 5.491650 -0.000000\n0.000000 0.000000 5.491650\nCa Bi As\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 As\n",
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},
{
"id": "jvasp-54828",
"created_at": "2022-09-04T14:37:31.217496Z",
"updated_at": "2022-09-04T14:37:31.217513Z",
"structure_string": "Li4 Ca4 Ga4 N8\n1.0\n0.000000 5.794493 -0.005911\n6.931587 0.000000 0.000000\n0.000000 -0.001405 -5.907588\nLi Ca Ga N\n4 4 4 8\ndirect\n0.632941 0.105177 0.588925 Li\n0.367058 0.894823 0.411075 Li\n0.632942 0.394823 0.088925 Li\n0.367057 0.605177 0.911075 Li\n0.021610 0.626998 0.243159 Ca\n0.978389 0.373003 0.756841 Ca\n0.021609 0.873003 0.743159 Ca\n0.978390 0.126998 0.256841 Ca\n0.623940 0.859534 0.080070 Ga\n0.623939 0.640466 0.580070 Ga\n0.376059 0.140466 0.919930 Ga\n0.376059 0.359534 0.419930 Ga\n0.259954 0.135627 0.595658 N\n0.740044 0.635627 0.904342 N\n0.722842 0.111994 0.928265 N\n0.740045 0.864374 0.404342 N\n0.722842 0.388006 0.428265 N\n0.277157 0.888006 0.071735 N\n0.277157 0.611994 0.571735 N\n0.259954 0.364374 0.095658 N\n",
"nsites": 20,
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{
"id": "jvasp-93746",
"created_at": "2022-09-04T14:35:50.705092Z",
"updated_at": "2022-09-04T14:35:50.705122Z",
"structure_string": "Nb2 S4\n1.0\n-1.680078 -2.909979 0.000000\n-1.680054 2.909965 0.000000\n0.000000 -0.000000 -13.162763\nNb S\n2 4\ndirect\n0.666691 0.333330 0.250000 Nb\n0.333359 0.666671 0.750000 Nb\n0.000010 -0.000005 0.130568 S\n0.000010 -0.000005 0.369432 S\n0.000015 0.000005 0.630567 S\n0.000015 0.000005 0.869432 S\n",
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{
"id": "jvasp-107265",
"created_at": "2022-09-04T14:36:57.602768Z",
"updated_at": "2022-09-04T14:36:57.602799Z",
"structure_string": "Zn1 Ge1 P2\n1.0\n3.850711 0.000000 0.000000\n0.000000 3.850711 0.000000\n-0.000000 0.000000 5.527014\nZn Ge P\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ge\n-0.000000 0.500000 0.245775 P\n0.500000 0.000000 0.754224 P\n",
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{
"id": "jvasp-109570",
"created_at": "2022-09-04T14:38:17.752338Z",
"updated_at": "2022-09-04T14:38:17.752370Z",
"structure_string": "Na3 Hg1\n1.0\n4.298883 -0.360720 -3.652774\n-1.152069 4.157313 -3.652774\n0.298984 0.360720 5.633273\nNa Hg\n3 1\ndirect\n0.749999 0.250000 0.500000 Na\n0.249999 0.749999 0.500000 Na\n0.499999 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Hg\n",
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{
"id": "jvasp-71201",
"created_at": "2022-09-04T14:35:48.391623Z",
"updated_at": "2022-09-04T14:35:48.391648Z",
"structure_string": "Ca1 Be1 Cr2\n1.0\n3.026582 0.000000 -0.000000\n0.000000 3.026582 0.000000\n0.000000 0.000000 6.847629\nCa Be Cr\n1 1 2\ndirect\n0.500000 0.500000 0.737920 Ca\n0.000000 0.000000 0.425409 Be\n0.000000 0.000000 0.084599 Cr\n0.500000 0.500000 0.252072 Cr\n",
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"spacegroup": 99
},
{
"id": "jvasp-55293",
"created_at": "2022-09-04T14:38:10.475686Z",
"updated_at": "2022-09-04T14:38:10.475733Z",
"structure_string": "Ba2 Co1 B6 O12\n1.0\n6.876768 -0.073261 -0.052022\n3.261777 6.056063 -0.049024\n3.261771 1.922193 5.743371\nBa Co B O\n2 1 6 12\ndirect\n0.788024 0.788071 0.788092 Ba\n0.211977 0.211928 0.211909 Ba\n0.000000 0.000000 0.000000 Co\n0.241850 0.635548 0.354749 B\n0.758150 0.364451 0.645252 B\n0.645370 0.758029 0.364450 B\n0.354631 0.241970 0.635551 B\n0.364547 0.645283 0.758060 B\n0.635454 0.354716 0.241941 B\n0.572278 0.195263 0.462864 O\n0.082331 0.842032 0.315088 O\n0.315000 0.082459 0.842039 O\n0.158052 0.684938 0.917574 O\n0.537221 0.427615 0.804720 O\n0.917669 0.157967 0.684913 O\n0.685001 0.917540 0.157962 O\n0.804812 0.537074 0.427558 O\n0.841949 0.315061 0.082427 O\n0.195189 0.462924 0.572443 O\n0.462780 0.572384 0.195281 O\n0.427723 0.804736 0.537137 O\n",
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{
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"created_at": "2022-09-04T14:38:08.160555Z",
"updated_at": "2022-09-04T14:38:08.160592Z",
"structure_string": "Sb2 H8 Pt1 O4 F12\n1.0\n4.971778 0.039307 -0.045413\n1.945748 7.615610 -0.041977\n0.925294 2.885888 7.991504\nSb H Pt O F\n2 8 1 4 12\ndirect\n0.352313 0.334544 0.337612 Sb\n0.647687 0.665457 0.662387 Sb\n0.746951 0.750841 0.007058 H\n0.837577 0.709969 0.192560 H\n0.239640 0.860968 0.295940 H\n0.947840 0.009588 0.299601 H\n0.052162 0.990412 0.700399 H\n0.760359 0.139034 0.704059 H\n0.162424 0.290032 0.807440 H\n0.253050 0.249159 0.992941 H\n0.000002 0.000000 0.000001 Pt\n0.242186 0.187769 0.909957 O\n0.888323 0.022346 0.770543 O\n0.757814 0.812232 0.090043 O\n0.111677 0.977654 0.229456 O\n0.368879 0.534096 0.768101 F\n0.218941 0.375850 0.119798 F\n0.631124 0.465906 0.231898 F\n0.596959 0.103863 0.329188 F\n0.104377 0.569117 0.334492 F\n0.518906 0.707907 0.443773 F\n0.069793 0.203813 0.440699 F\n0.930205 0.796186 0.559302 F\n0.481096 0.292093 0.556228 F\n0.895623 0.430885 0.665507 F\n0.403044 0.896136 0.670812 F\n0.781059 0.624151 0.880201 F\n",
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{
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"structure_string": "La1 Cl3 O3\n1.0\n-0.000000 0.000000 -5.230451\n-2.575152 -4.460294 -0.000000\n-2.575152 4.460294 0.000000\nLa Cl O\n1 3 3\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.338013 0.338013 Cl\n0.500000 0.000000 0.661986 Cl\n0.500000 0.661986 0.000000 Cl\n0.000000 0.503810 0.999999 O\n0.000000 0.496190 0.496190 O\n-0.000000 0.999999 0.503810 O\n",
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"structure_string": "K1 Fe1 N1\n1.0\n2.969691 -0.000691 -0.818579\n-1.597388 2.633911 -0.001367\n-0.020993 -0.011295 5.715174\nK Fe N\n1 1 1\ndirect\n0.721173 0.691282 0.912456 K\n0.733460 0.197116 0.430576 Fe\n0.116365 0.888598 0.504964 N\n",
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}