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"id": "jvasp-10835",
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"structure_string": "Ca2 Cr4 S8\n1.0\n6.446981 0.000000 3.722167\n2.148993 6.078272 3.722167\n-0.000000 -0.000000 7.444332\nCa Cr S\n2 4 8\ndirect\n0.875000 0.874999 0.875001 Ca\n0.125000 0.125000 0.125000 Ca\n0.500001 0.500000 0.500000 Cr\n0.500001 0.500000 0.000001 Cr\n-0.000000 0.500000 0.500000 Cr\n0.500001 0.000000 0.500000 Cr\n0.731003 0.731002 0.731005 S\n0.268997 0.268997 0.693010 S\n0.268998 0.693007 0.268998 S\n0.693009 0.268997 0.268998 S\n0.731002 0.306991 0.731003 S\n0.306991 0.731002 0.731003 S\n0.268997 0.268997 0.268998 S\n0.731003 0.731002 0.306991 S\n",
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{
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{
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"structure_string": "Ca2 Cr4 S8\n1.0\n7.235300 0.006755 0.002746\n-3.611563 -6.289318 0.003932\n-3.617131 1.933112 -5.981513\nCa Cr S\n2 4 8\ndirect\n-0.000006 -0.000009 0.000011 Ca\n0.500009 0.500005 0.499996 Ca\n0.000008 0.000006 0.500012 Cr\n0.500010 0.000006 0.000005 Cr\n0.499997 0.999995 0.499999 Cr\n0.000001 0.499998 0.500012 Cr\n0.026775 0.762189 0.291363 S\n0.029580 0.759412 0.740608 S\n0.473215 0.208644 0.737802 S\n0.529565 0.240583 0.259409 S\n0.526799 0.791366 0.262200 S\n0.970440 0.240601 0.259418 S\n0.470431 0.759408 0.740590 S\n0.973217 0.237801 0.708655 S\n",
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"density": 3.326250725592989,
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{
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"updated_at": "2022-09-04T14:38:50.292235Z",
"structure_string": "Ca2 Cu1 As2\n1.0\n3.656771 -2.867434 0.508259\n3.656771 2.867434 0.508259\n-1.643339 0.000000 5.752699\nCa Cu As\n2 1 2\ndirect\n0.321623 0.321623 0.742786 Ca\n0.678378 0.678378 0.257215 Ca\n0.000000 0.000000 0.000000 Cu\n0.274117 0.274117 0.243753 As\n0.725884 0.725884 0.756248 As\n",
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{
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"structure_string": "Ca2 Cu1 Br2 O2\n1.0\n3.783892 -0.000000 -0.828697\n-0.181490 3.779537 -0.828697\n0.001252 0.001314 9.058831\nCa Cu Br O\n2 1 2 2\ndirect\n0.409467 0.409467 0.818935 Ca\n0.590531 0.590532 0.181063 Ca\n0.000001 0.000001 0.000003 Cu\n0.827706 0.827707 0.655413 Br\n0.172293 0.172293 0.344585 Br\n0.499999 -0.000000 -0.000000 O\n-0.000000 0.500000 -0.000000 O\n",
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{
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"structure_string": "Ca2 Cu1 C1 N2 O2\n1.0\n3.738779 -0.000000 -0.000000\n0.000000 3.738779 0.000000\n0.000000 0.000000 7.819234\nCa Cu C N O\n2 1 1 2 2\ndirect\n0.500000 0.500000 0.702135 Ca\n0.500000 0.500000 0.297865 Ca\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.841087 N\n0.000000 0.000000 0.158912 N\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
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