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{
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{
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"structure_string": "Mn2 S2\n1.0\n1.228015 3.473333 2.126966\n0.000014 -0.000004 4.253930\n3.684019 0.000003 2.126976\nMn S\n2 2\ndirect\n0.999997 0.000026 0.999964 Mn\n0.500015 0.499987 0.500006 Mn\n0.749996 0.750009 0.749997 S\n0.249988 0.249985 0.250029 S\n",
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{
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"structure_string": "Nb1 Ni3\n1.0\n3.339872 -0.000000 -1.466034\n-0.643514 3.277291 -1.466034\n0.007296 0.008868 4.554035\nNb Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Nb\n0.750000 0.250000 0.500002 Ni\n0.500000 0.500000 0.000001 Ni\n0.250001 0.750000 0.500002 Ni\n",
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{
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"created_at": "2022-09-04T14:36:38.220918Z",
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"structure_string": "Ca3 Cd1\n1.0\n5.072483 -0.000000 0.000000\n0.000000 5.072483 0.000000\n-0.000000 -0.000000 5.072483\nCa Cd\n3 1\ndirect\n-0.000000 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 Cd\n",
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{
"id": "jvasp-86966",
"created_at": "2022-09-04T14:36:17.769025Z",
"updated_at": "2022-09-04T14:36:17.769049Z",
"structure_string": "Ce2 Ga12\n1.0\n6.029003 0.000000 -0.000000\n0.000000 6.029003 0.000000\n0.000000 0.000000 7.656724\nCe Ga\n2 12\ndirect\n0.250000 0.750000 0.000000 Ce\n0.750000 0.250000 0.000000 Ce\n0.935425 0.064574 0.350670 Ga\n0.564574 0.435425 0.350670 Ga\n0.250000 0.250000 0.161404 Ga\n0.250000 0.250000 0.838595 Ga\n0.750000 0.750000 0.838595 Ga\n0.750000 0.750000 0.161404 Ga\n0.435425 0.564574 0.649329 Ga\n0.935425 0.435425 0.649329 Ga\n0.564574 0.064574 0.649329 Ga\n0.435425 0.935425 0.350670 Ga\n0.064574 0.564574 0.350670 Ga\n0.064574 0.935425 0.649329 Ga\n",
"nsites": 14,
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"elements": [
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"density": 6.6639619198131985,
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{
"id": "jvasp-1930",
"created_at": "2022-09-04T14:36:35.053034Z",
"updated_at": "2022-09-04T14:36:35.053062Z",
"structure_string": "Fe1 Br2\n1.0\n1.850875 -3.205808 0.000000\n1.850875 3.205808 0.000000\n-0.000000 0.000000 6.224605\nFe Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.666666 0.333332 0.758374 Br\n0.333332 0.666666 0.241625 Br\n",
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{
"id": "jvasp-100172",
"created_at": "2022-09-04T14:36:31.974786Z",
"updated_at": "2022-09-04T14:36:31.974805Z",
"structure_string": "Ga2 Ge6\n1.0\n6.000990 0.000000 0.000000\n-3.000495 5.197010 0.000000\n0.000000 -0.000000 5.079580\nGa Ge\n2 6\ndirect\n0.333332 0.666667 0.750000 Ga\n0.666667 0.333333 0.250000 Ga\n0.163851 0.327703 0.250000 Ge\n0.672297 0.836149 0.250000 Ge\n0.163851 0.836149 0.250000 Ge\n0.836148 0.672297 0.750000 Ge\n0.327703 0.163851 0.750000 Ge\n0.836148 0.163851 0.750000 Ge\n",
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{
"id": "jvasp-4765",
"created_at": "2022-09-04T14:36:35.089139Z",
"updated_at": "2022-09-04T14:36:35.089165Z",
"structure_string": "Ca1 Pd5\n1.0\n2.661303 -4.609513 0.000000\n2.661303 4.609513 0.000000\n0.000000 0.000000 4.460502\nCa Pd\n1 5\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666666 0.000000 Pd\n0.666666 0.333333 0.000000 Pd\n-0.000000 0.500000 0.500000 Pd\n0.499999 0.499999 0.500000 Pd\n0.500000 -0.000000 0.500000 Pd\n",
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{
"id": "jvasp-1300",
"created_at": "2022-09-04T14:36:14.997271Z",
"updated_at": "2022-09-04T14:36:14.997301Z",
"structure_string": "Mg1 S1\n1.0\n3.190881 0.000000 1.842256\n1.063627 3.008392 1.842256\n0.000000 0.000000 3.684512\nMg S\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500001 S\n",
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{
"id": "jvasp-18596",
"created_at": "2022-09-04T14:36:38.997344Z",
"updated_at": "2022-09-04T14:36:38.997369Z",
"structure_string": "Tm1 Ag3\n1.0\n4.327487 0.000000 0.000000\n0.000000 4.327487 -0.000000\n0.000000 0.000000 4.327487\nTm Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.500000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.500000 0.000000 0.500000 Ag\n",
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{
"id": "jvasp-78675",
"created_at": "2022-09-04T14:36:31.969152Z",
"updated_at": "2022-09-04T14:36:31.969163Z",
"structure_string": "Cu2 Au2\n1.0\n3.610258 -0.000000 -0.000000\n0.000000 4.078529 0.000000\n-0.000000 0.000000 4.078529\nCu Au\n2 2\ndirect\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Au\n0.000000 0.500000 0.500000 Au\n",
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{
"id": "jvasp-106072",
"created_at": "2022-09-04T14:36:17.730255Z",
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"structure_string": "Ga2 S3\n1.0\n4.875664 -0.007327 -4.208594\n-0.443295 3.496787 -5.390769\n-0.041496 0.007327 6.440702\nGa S\n2 3\ndirect\n0.833054 0.841195 0.991862 Ga\n0.150668 0.158807 0.991862 Ga\n0.101843 0.338075 0.763768 S\n0.425692 0.661926 0.763768 S\n0.738737 -0.000000 0.738737 S\n",
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