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{
"id": "jvasp-109229",
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"structure_string": "K2 Li1 Bi1 Cl6\n1.0\n6.356944 -0.000000 3.670183\n2.118981 5.993384 3.670183\n-0.000000 -0.000000 7.340366\nK Li Bi Cl\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Bi\n0.740670 0.259330 0.259330 Cl\n0.259330 0.259330 0.740670 Cl\n0.259330 0.740670 0.740670 Cl\n0.259330 0.740670 0.259330 Cl\n0.740670 0.259330 0.740670 Cl\n0.740670 0.740670 0.259330 Cl\n",
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"structure_string": "Sm3 Ta1\n1.0\n1.689448 -2.926210 0.000000\n1.689448 2.926210 0.000000\n0.000000 0.000000 11.313061\nSm Ta\n3 1\ndirect\n0.000000 0.000000 0.500000 Sm\n0.333333 0.666667 0.223126 Sm\n0.666667 0.333333 0.776874 Sm\n0.000000 0.000000 0.000000 Ta\n",
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{
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"updated_at": "2022-09-04T14:36:05.020322Z",
"structure_string": "Al4 Se4 Br12 N4\n1.0\n7.661098 0.038533 0.000000\n-3.301317 8.855755 0.000000\n0.000000 0.000000 9.873732\nAl Se Br N\n4 4 12 4\ndirect\n0.386239 0.158777 0.128591 Al\n0.113761 0.341223 0.628591 Al\n0.886239 0.658777 0.371409 Al\n0.613761 0.841223 0.871409 Al\n0.469806 0.631589 0.464425 Se\n0.530193 0.368411 0.535575 Se\n0.969807 0.131588 0.035575 Se\n0.030192 0.868412 0.964425 Se\n0.118485 0.712763 0.533694 Br\n0.685582 0.624936 0.828879 Br\n0.314418 0.375065 0.171121 Br\n0.381515 0.787238 0.033694 Br\n0.429042 0.046419 0.324235 Br\n0.070958 0.453581 0.824235 Br\n0.929042 0.546419 0.175765 Br\n0.814418 0.875065 0.328879 Br\n0.618485 0.212763 0.966306 Br\n0.570958 0.953581 0.675764 Br\n0.185582 0.124935 0.671121 Br\n0.881515 0.287237 0.466306 Br\n0.653530 0.549248 0.453589 N\n0.846470 0.950752 0.953589 N\n0.346470 0.450752 0.546411 N\n0.153530 0.049248 0.046411 N\n",
"nsites": 24,
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{
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"created_at": "2022-09-04T14:35:54.085235Z",
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"structure_string": "Ba2 As2 Au2\n1.0\n-2.307134 -3.996021 0.000000\n-2.307134 3.996021 -0.000000\n0.000000 0.000000 -9.098907\nBa As Au\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333332 0.750000 As\n0.333332 0.666667 0.250000 As\n0.666670 0.333329 0.250000 Au\n0.333329 0.666670 0.750000 Au\n",
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"structure_string": "In2 Sn6\n1.0\n6.756037 0.000000 0.000000\n-3.378018 5.850900 0.000000\n0.000000 0.000000 5.658944\nIn Sn\n2 6\ndirect\n0.333333 0.666667 0.749999 In\n0.666667 0.333333 0.250000 In\n0.164772 0.329543 0.250000 Sn\n0.670458 0.835228 0.250000 Sn\n0.164772 0.835228 0.250000 Sn\n0.835228 0.670458 0.749999 Sn\n0.329543 0.164772 0.749999 Sn\n0.835229 0.164772 0.749999 Sn\n",
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{
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"created_at": "2022-09-04T14:37:10.907944Z",
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"structure_string": "K8 S4\n1.0\n5.256520 0.000000 0.000000\n0.000000 9.105335 0.000000\n0.000000 -0.000000 7.010338\nK S\n8 4\ndirect\n0.500000 0.833324 0.250000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.500000 0.166676 0.750000 K\n0.000000 0.333324 0.250000 K\n0.500000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.666675 0.750000 K\n0.500000 0.166658 0.250000 S\n0.500000 0.833341 0.750000 S\n0.000000 0.666658 0.250000 S\n0.000000 0.333341 0.750000 S\n",
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{
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"created_at": "2022-09-04T14:36:01.696426Z",
"updated_at": "2022-09-04T14:36:01.696441Z",
"structure_string": "Ba2 As2 Au2\n1.0\n2.306972 -3.995793 0.000000\n2.306972 3.995793 -0.000000\n0.000000 0.000000 9.099171\nBa As Au\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.333333 0.666666 0.250000 As\n0.666666 0.333333 0.750000 As\n0.333333 0.666666 0.750000 Au\n0.666666 0.333333 0.250000 Au\n",
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{
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"created_at": "2022-09-04T14:38:11.395782Z",
"updated_at": "2022-09-04T14:38:11.395807Z",
"structure_string": "Hg8 Br4 N4\n1.0\n3.366241 -5.830501 -0.000000\n3.366241 5.830501 -0.000000\n-0.000000 -0.000000 11.395951\nHg Br N\n8 4 4\ndirect\n0.500000 0.500000 0.500000 Hg\n0.500000 -0.000000 0.000000 Hg\n-0.000000 0.500000 0.000000 Hg\n-0.000000 0.500000 0.500000 Hg\n0.500000 -0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.666667 0.333333 0.250000 Hg\n0.333333 0.666667 0.750000 Hg\n0.000000 0.000000 0.500000 Br\n0.333333 0.666667 0.250000 Br\n0.000000 0.000000 0.000000 Br\n0.666667 0.333333 0.750000 Br\n0.333333 0.666667 0.931165 N\n0.666667 0.333333 0.068835 N\n0.333333 0.666667 0.568835 N\n0.666667 0.333333 0.431165 N\n",
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{
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"created_at": "2022-09-04T14:37:32.015044Z",
"updated_at": "2022-09-04T14:37:32.015071Z",
"structure_string": "Au4 Br4\n1.0\n4.236706 0.000000 -0.000000\n-0.000000 4.236706 -0.000000\n-0.000000 0.000000 12.460678\nAu Br\n4 4\ndirect\n0.000000 0.000000 0.000000 Au\n0.500001 0.000000 0.500000 Au\n0.000000 0.500001 0.500000 Au\n0.500001 0.500001 0.000000 Au\n0.250000 0.250000 0.160239 Br\n0.250000 0.250000 0.660239 Br\n0.750001 0.750001 0.339762 Br\n0.750001 0.750001 0.839762 Br\n",
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