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{
"id": "jvasp-120830",
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"structure_string": "Mg1 B1 H3\n1.0\n3.227511 0.000000 0.000000\n0.000000 3.227511 0.000000\n0.000000 0.000000 3.227511\nMg B H\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.499999 B\n0.499999 0.499999 0.000000 H\n0.499999 0.000000 0.499999 H\n0.000000 0.499999 0.499999 H\n",
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{
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"structure_string": "P1 Cl2\n1.0\n6.680391 0.000000 0.000000\n0.000000 4.216912 0.000000\n0.000000 0.000000 3.188105\nP Cl\n1 2\ndirect\n0.000000 0.297360 0.000000 P\n0.243808 -0.004680 0.000000 Cl\n0.756192 -0.004680 0.000000 Cl\n",
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{
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"structure_string": "Ba1 Li1 H3\n1.0\n5.064302 -0.000000 -0.000000\n-0.000000 5.064302 -0.000000\n0.000000 -0.000000 5.064302\nBa Li H\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 H\n0.500000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n",
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{
"id": "jvasp-117970",
"created_at": "2022-09-04T14:38:49.198922Z",
"updated_at": "2022-09-04T14:38:49.198947Z",
"structure_string": "Ca3 C1\n1.0\n3.713701 -0.603095 0.608089\n-0.791062 -5.066492 -0.193146\n-0.475778 2.908732 -6.088443\nCa C\n3 1\ndirect\n0.115892 0.103693 0.062150 Ca\n0.478058 0.465178 0.785259 Ca\n0.753768 0.742216 0.339065 Ca\n0.115919 0.603688 0.062170 C\n",
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{
"id": "jvasp-94760",
"created_at": "2022-09-04T14:36:09.871320Z",
"updated_at": "2022-09-04T14:36:09.871340Z",
"structure_string": "Rb1 Ca1 Mg6\n1.0\n6.987372 0.211007 0.000000\n-3.310949 6.156745 0.000000\n0.000000 0.000000 5.474645\nRb Ca Mg\n1 1 6\ndirect\n0.367616 0.132384 0.750001 Rb\n0.164869 0.335130 0.250000 Ca\n0.117861 0.793313 0.250000 Mg\n0.706686 0.382139 0.250000 Mg\n0.644050 0.855950 0.250000 Mg\n0.313739 0.629586 0.750001 Mg\n0.870413 0.186261 0.750001 Mg\n0.814763 0.685236 0.750001 Mg\n",
"nsites": 8,
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{
"id": "jvasp-91868",
"created_at": "2022-09-04T14:35:57.444606Z",
"updated_at": "2022-09-04T14:35:57.444633Z",
"structure_string": "Mg7 B1\n1.0\n6.149992 -0.000000 0.000000\n-3.074995 5.326048 -0.000000\n0.000000 0.000000 4.872530\nMg B\n7 1\ndirect\n0.165792 0.832896 0.250000 Mg\n0.667104 0.334208 0.250000 Mg\n0.667104 0.832896 0.250000 Mg\n0.325919 0.174081 0.750000 Mg\n0.325919 0.651840 0.750000 Mg\n0.848160 0.174081 0.750000 Mg\n0.833332 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 B\n",
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{
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"updated_at": "2022-09-04T14:35:43.231470Z",
"structure_string": "Li4 B4 S10\n1.0\n5.888942 -0.000000 -2.388021\n-0.000000 6.790204 -0.000000\n0.065839 -0.000000 8.617538\nLi B S\n4 4 10\ndirect\n0.770254 0.000000 0.540507 Li\n0.229746 0.500000 0.459493 Li\n0.229746 0.000000 0.459493 Li\n0.770254 0.500000 0.540507 Li\n0.552479 0.750000 0.826489 B\n0.725989 0.750000 0.173511 B\n0.447520 0.250000 0.173511 B\n0.274010 0.250000 0.826489 B\n0.705770 0.250000 0.131125 S\n0.574645 0.250000 0.868876 S\n0.294230 0.750000 0.868876 S\n0.425354 0.750000 0.131125 S\n0.919545 0.750000 0.388373 S\n0.468827 0.250000 0.388373 S\n0.531173 0.750000 0.611627 S\n0.822157 0.750000 -0.000000 S\n0.080455 0.250000 0.611627 S\n0.177842 0.250000 -0.000000 S\n",
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"density_atomic": 0.05207457979850995,
"volume": 345.65809401912924,
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"formula_full": "Li4 B4 S10",
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{
"id": "jvasp-38204",
"created_at": "2022-09-04T14:38:14.478641Z",
"updated_at": "2022-09-04T14:38:14.478659Z",
"structure_string": "Rb3 Sr1\n1.0\n6.721204 -0.000000 -0.000000\n-0.000000 6.721204 0.000000\n-0.000000 0.000000 6.721204\nRb Sr\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.500000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Sr\n",
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{
"id": "jvasp-25119",
"created_at": "2022-09-04T14:37:47.191531Z",
"updated_at": "2022-09-04T14:37:47.191546Z",
"structure_string": "O6\n1.0\n4.635794 0.712123 3.954757\n2.242507 4.119329 3.954757\n1.013814 0.712123 6.008566\nO\n6\ndirect\n0.115234 0.913977 0.710921 O\n0.913977 0.710919 0.115236 O\n0.710918 0.115233 0.913980 O\n0.210919 0.413977 0.615235 O\n0.615233 0.210919 0.413979 O\n0.413977 0.615234 0.210921 O\n",
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{
"id": "jvasp-62652",
"created_at": "2022-09-04T14:36:15.691135Z",
"updated_at": "2022-09-04T14:36:15.691147Z",
"structure_string": "Li4 B4 S10\n1.0\n3.178226 -8.010037 0.000000\n3.178226 8.010037 0.000000\n-0.000000 0.000000 6.791434\nLi B S\n4 4 10\ndirect\n0.229683 0.770318 0.500000 Li\n0.770318 0.229683 0.000000 Li\n0.770318 0.229683 0.500000 Li\n0.229683 0.770318 0.000000 Li\n0.447536 0.274007 0.750000 B\n0.552466 0.725994 0.250000 B\n0.274007 0.447536 0.750000 B\n0.725994 0.552466 0.250000 B\n0.531108 0.919520 0.250000 S\n0.468893 0.080481 0.750000 S\n0.294303 0.425437 0.250000 S\n0.705698 0.574565 0.750000 S\n0.177894 0.177894 0.750000 S\n0.574565 0.705698 0.750000 S\n0.822107 0.822107 0.250000 S\n0.080481 0.468893 0.750000 S\n0.425437 0.294303 0.250000 S\n0.919520 0.531108 0.250000 S\n",
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{
"id": "jvasp-74169",
"created_at": "2022-09-04T14:35:58.123442Z",
"updated_at": "2022-09-04T14:35:58.123451Z",
"structure_string": "K2 Be1 Zn1\n1.0\n5.760468 0.000000 0.000000\n0.000000 5.760468 0.000000\n0.000000 -0.000000 4.061384\nK Be Zn\n2 1 1\ndirect\n0.500000 0.000000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.000000 0.000000 0.500000 Be\n0.500000 0.500000 0.500000 Zn\n",
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{
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"created_at": "2022-09-04T14:36:45.835402Z",
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"structure_string": "H4 C6 S2 O4\n1.0\n4.695187 -0.018421 1.222502\n0.708646 5.986678 1.607195\n-0.076656 -0.049045 6.382055\nH C S O\n4 6 2 4\ndirect\n0.609174 0.417149 0.654112 H\n0.533826 0.325544 0.944046 H\n0.609708 0.916157 0.153087 H\n0.533926 0.826190 0.443205 H\n0.079994 0.264833 0.783174 C\n0.597357 0.267716 0.788002 C\n0.376072 0.131241 0.773298 C\n0.080055 0.764325 0.283329 C\n0.597515 0.767352 0.287717 C\n0.376039 0.630644 0.273780 C\n0.026132 0.525718 0.804509 S\n0.026346 0.025400 0.303992 S\n0.421868 0.935571 0.761450 O\n0.421665 0.434778 0.262619 O\n0.879394 0.642070 0.276908 O\n0.879416 0.142659 0.776472 O\n",
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