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"id": "jvasp-99636",
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{
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{
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"structure_string": "Ca1 Cu5\n1.0\n2.551505 -4.419336 -0.000000\n2.551505 4.419336 0.000000\n0.000000 0.000000 4.067147\nCa Cu\n1 5\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333332 0.666666 0.000000 Cu\n0.666666 0.333332 0.000000 Cu\n0.500000 -0.000001 0.500000 Cu\n0.499999 0.499999 0.500000 Cu\n-0.000001 0.500000 0.500000 Cu\n",
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{
"id": "jvasp-20222",
"created_at": "2022-09-04T14:37:46.851933Z",
"updated_at": "2022-09-04T14:37:46.851961Z",
"structure_string": "Ca1 Cu5\n1.0\n2.551505 -4.419335 0.000000\n2.551505 4.419335 -0.000000\n0.000000 0.000000 4.067150\nCa Cu\n1 5\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333332 0.666666 0.000000 Cu\n0.666666 0.333332 0.000000 Cu\n0.500000 -0.000001 0.500000 Cu\n0.499999 0.499999 0.500000 Cu\n-0.000001 0.500000 0.500000 Cu\n",
"nsites": 6,
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{
"id": "jvasp-21801",
"created_at": "2022-09-04T14:38:09.592906Z",
"updated_at": "2022-09-04T14:38:09.592933Z",
"structure_string": "Ca8 Cu4\n1.0\n4.170395 -0.000000 0.000000\n0.000000 5.963025 0.000000\n0.000000 0.000000 14.317352\nCa Cu\n8 4\ndirect\n0.749999 0.631120 0.665785 Ca\n0.250000 0.368880 0.334215 Ca\n0.749999 0.131120 0.834215 Ca\n0.250000 0.868881 0.165785 Ca\n0.749999 0.867876 0.407379 Ca\n0.250000 0.132125 0.592621 Ca\n0.749999 0.367875 0.092621 Ca\n0.250000 0.632126 0.907379 Ca\n0.749999 0.883733 0.017048 Cu\n0.250000 0.116268 0.982952 Cu\n0.749999 0.383733 0.482952 Cu\n0.250000 0.616268 0.517048 Cu\n",
"nsites": 12,
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"formula_full": "Ca8 Cu4",
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{
"id": "jvasp-23863",
"created_at": "2022-09-04T14:37:34.047094Z",
"updated_at": "2022-09-04T14:37:34.047124Z",
"structure_string": "Ca2 Cl4\n1.0\n6.384320 -0.000000 0.000000\n-0.000000 6.384320 0.000000\n0.000000 0.000000 4.160853\nCa Cl\n2 4\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.697516 0.697516 0.000000 Cl\n0.197516 0.802484 0.500000 Cl\n0.302484 0.302484 0.000000 Cl\n0.802484 0.197516 0.500000 Cl\n",
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{
"id": "jvasp-55032",
"created_at": "2022-09-04T14:38:32.196742Z",
"updated_at": "2022-09-04T14:38:32.196766Z",
"structure_string": "Ca4 Cl8\n1.0\n4.383541 0.000000 0.000000\n-0.000000 7.218093 0.000000\n0.000000 0.000000 8.676430\nCa Cl\n4 8\ndirect\n0.250000 0.757506 0.896690 Ca\n0.250000 0.257506 0.603310 Ca\n0.750000 0.242493 0.103310 Ca\n0.750000 0.742493 0.396690 Ca\n0.750000 0.141199 0.419687 Cl\n0.250000 0.358800 0.919687 Cl\n0.250000 -0.141199 0.580313 Cl\n0.750000 0.641199 0.080313 Cl\n0.750000 0.012901 0.839650 Cl\n0.250000 -0.012901 0.160350 Cl\n0.750000 0.512901 0.660350 Cl\n0.250000 0.487098 0.339650 Cl\n",
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"volume": 274.5292436718887,
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"formula_full": "Ca4 Cl8",
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{
"id": "jvasp-93432",
"created_at": "2022-09-04T14:35:42.996788Z",
"updated_at": "2022-09-04T14:35:42.996809Z",
"structure_string": "Ca2 Cl4\n1.0\n4.136001 0.000000 0.000000\n0.000000 6.170146 0.000000\n0.000000 0.000000 6.486739\nCa Cl\n2 4\ndirect\n0.000000 0.894044 0.749985 Ca\n0.500000 0.394043 0.250016 Ca\n0.500000 0.133145 0.908138 Cl\n0.000000 0.633146 0.091863 Cl\n0.000000 0.154811 0.408068 Cl\n0.500000 0.654811 0.591932 Cl\n",
"nsites": 6,
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"spacegroup": 58
},
{
"id": "jvasp-107147",
"created_at": "2022-09-04T14:36:57.635000Z",
"updated_at": "2022-09-04T14:36:57.635021Z",
"structure_string": "Ca1 Cl2\n1.0\n4.089780 -0.000000 2.361235\n1.363260 3.855881 2.361235\n-0.000000 -0.000000 4.722471\nCa Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Cl\n0.750000 0.750000 0.750001 Cl\n",
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},
{
"id": "jvasp-22528",
"created_at": "2022-09-04T14:37:18.964406Z",
"updated_at": "2022-09-04T14:37:18.964426Z",
"structure_string": "Ca2 Cl4\n1.0\n4.136329 0.000000 0.000000\n0.000000 6.170827 0.000000\n0.000000 -0.000000 6.487043\nCa Cl\n2 4\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.500000 0.760991 0.158241 Cl\n0.500000 0.239010 0.841758 Cl\n0.000000 0.739010 0.658241 Cl\n0.000000 0.260991 0.341758 Cl\n",
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{
"id": "jvasp-22524",
"created_at": "2022-09-04T14:37:09.682628Z",
"updated_at": "2022-09-04T14:37:09.682655Z",
"structure_string": "Ca2 Cl4\n1.0\n4.160852 0.000000 0.000000\n0.000000 6.384321 0.000000\n0.000000 0.000000 6.384321\nCa Cl\n2 4\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.000000 0.697515 0.697515 Cl\n0.500000 0.802484 0.197516 Cl\n0.000000 0.302484 0.302484 Cl\n0.500000 0.197516 0.802484 Cl\n",
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{
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