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{
"id": "jvasp-51351",
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{
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{
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"structure_string": "Al4 C3\n1.0\n3.290083 -0.000430 7.955377\n1.579793 2.885984 7.955377\n-0.000725 -0.000430 8.608872\nAl C\n4 3\ndirect\n0.870070 0.870071 0.870076 Al\n0.129927 0.129927 0.129928 Al\n0.706473 0.706474 0.706478 Al\n0.293524 0.293525 0.293526 Al\n0.783181 0.783182 0.783186 C\n0.216816 0.216817 0.216818 C\n0.000000 0.000000 0.000000 C\n",
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{
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"updated_at": "2022-09-04T14:37:12.877906Z",
"structure_string": "Al1 C3\n1.0\n3.223785 0.000000 0.000000\n0.000000 3.223785 0.000000\n-0.000000 0.000000 3.223785\nAl C\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500001 0.500001 C\n0.500001 0.000000 0.500001 C\n0.500001 0.500001 0.000000 C\n",
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{
"id": "jvasp-14538",
"created_at": "2022-09-04T14:38:05.748382Z",
"updated_at": "2022-09-04T14:38:05.748409Z",
"structure_string": "Ca2 Al4\n1.0\n4.910072 0.000000 2.834831\n1.636691 4.629260 2.834831\n-0.000000 -0.000000 5.669663\nCa Al\n2 4\ndirect\n0.375000 0.375000 0.375000 Ca\n0.625000 0.625000 0.624999 Ca\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.000000 -0.000000 Al\n-0.000000 0.500000 -0.000000 Al\n",
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{
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"updated_at": "2022-09-04T14:37:34.261842Z",
"structure_string": "Ca1 Al4\n1.0\n4.096075 -0.000000 -1.498059\n-0.547886 4.059267 -1.498059\n0.024343 0.027850 6.415447\nCa Al\n1 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.249999 0.750001 0.500000 Al\n0.386521 0.386522 0.773043 Al\n0.613478 0.613479 0.226957 Al\n0.750000 0.250000 0.500000 Al\n",
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{
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"updated_at": "2022-09-04T14:36:13.218449Z",
"structure_string": "Ca4 Al8 Cl32\n1.0\n-5.667272 5.667272 9.674580\n5.667272 -5.667272 9.674580\n5.667272 5.667272 -9.674580\nCa Al Cl\n4 8 32\ndirect\n0.375000 0.625000 0.250000 Ca\n0.875000 0.125000 0.250000 Ca\n0.125000 0.875000 0.750000 Ca\n0.625000 0.375000 0.750000 Ca\n0.250000 0.774509 0.024509 Al\n0.750000 0.725491 0.475491 Al\n0.225491 0.250000 0.975491 Al\n0.774509 0.750000 0.024509 Al\n0.750000 0.225491 0.975491 Al\n0.250000 0.274509 0.524509 Al\n0.274509 0.750000 0.524509 Al\n0.725491 0.250000 0.475491 Al\n0.131515 0.099031 0.714416 Cl\n0.368485 0.582902 0.467516 Cl\n0.400969 0.368485 0.785583 Cl\n0.582901 0.115386 0.714416 Cl\n0.384614 0.917098 0.785583 Cl\n0.099031 0.384614 0.467516 Cl\n0.615385 0.082902 0.214416 Cl\n0.884614 0.599031 0.967516 Cl\n0.631515 0.417098 0.532484 Cl\n0.599031 0.631515 0.214416 Cl\n0.417098 0.884614 0.285584 Cl\n0.115386 0.400969 0.032484 Cl\n0.868485 0.900969 0.285584 Cl\n0.917098 0.131515 0.032484 Cl\n0.309301 0.751620 0.882495 Cl\n0.748380 0.190699 0.617505 Cl\n0.751620 0.869125 0.942318 Cl\n0.926806 0.309301 0.557681 Cl\n0.190699 0.573194 0.942318 Cl\n0.630875 0.748380 0.557681 Cl\n0.900969 0.615386 0.532484 Cl\n0.573194 0.630875 0.882495 Cl\n0.690699 0.248380 0.117505 Cl\n0.130875 0.073194 0.382495 Cl\n0.248380 0.130875 0.057681 Cl\n0.073194 0.690699 0.442319 Cl\n0.809301 0.426806 0.057681 Cl\n0.369125 0.251620 0.442319 Cl\n0.251620 0.809301 0.382495 Cl\n0.426806 0.369125 0.117505 Cl\n0.869125 0.926806 0.617505 Cl\n0.082902 0.868485 0.967516 Cl\n",
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{
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"created_at": "2022-09-04T14:36:00.304584Z",
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"structure_string": "Ca2 Al1 H8 S2 Cl1 O12 F2\n1.0\n-3.423878 3.423878 6.649633\n3.423878 -3.423878 6.649633\n3.423878 3.423878 -6.649633\nCa Al H S Cl O F\n2 1 8 2 1 12 2\ndirect\n0.300637 0.300637 0.000000 Ca\n0.699362 0.699362 0.000000 Ca\n0.000000 0.000000 0.000000 Al\n0.046842 0.599378 0.768847 H\n0.830531 0.277994 0.231153 H\n0.277994 0.046842 0.447464 H\n0.599377 0.830531 0.552537 H\n0.953158 0.400622 0.231153 H\n0.169469 0.722006 0.768847 H\n0.722005 0.953158 0.552537 H\n0.400622 0.169469 0.447464 H\n0.750000 0.250000 0.500000 S\n0.250000 0.750000 0.500000 S\n0.500000 0.500000 0.000000 Cl\n0.652287 0.246160 0.268589 O\n0.977572 0.383699 0.731412 O\n0.383699 0.652287 0.406128 O\n0.246160 0.977572 0.593873 O\n0.347712 0.753840 0.731412 O\n0.022428 0.616301 0.268589 O\n0.616301 0.347712 0.593873 O\n0.753840 0.022428 0.406128 O\n0.053630 0.723218 0.776849 O\n0.946370 0.276782 0.223152 O\n0.276783 0.053630 0.330413 O\n0.723217 0.946370 0.669588 O\n0.133795 0.133795 0.000000 F\n0.866205 0.866205 0.000000 F\n",
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{
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"created_at": "2022-09-04T14:35:57.310612Z",
"updated_at": "2022-09-04T14:35:57.310624Z",
"structure_string": "Ca4 Al2 H20 Cl2 O16\n1.0\n10.461348 -0.000000 -2.041681\n0.470472 3.101670 7.913087\n0.470472 -3.101670 7.913087\nCa Al H Cl O\n4 2 20 2 16\ndirect\n0.823797 0.501259 0.578177 Ca\n0.676203 0.921824 -0.001259 Ca\n0.176203 0.498741 0.421824 Ca\n0.323797 0.078177 0.001259 Ca\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.442553 0.398344 0.241310 H\n0.057447 0.258690 0.101656 H\n0.557447 0.601656 0.758691 H\n0.942553 0.741310 0.898345 H\n0.115055 0.196634 0.353064 H\n0.615055 0.853064 0.696634 H\n0.884945 0.803366 0.646937 H\n0.882931 0.432801 0.292789 H\n0.617069 0.207211 0.067200 H\n0.384945 0.146936 0.303366 H\n0.382930 0.792789 -0.067199 H\n0.117069 0.567200 0.707211 H\n0.992458 0.238597 0.141203 H\n0.492458 0.641203 0.738597 H\n0.007541 0.761404 0.858798 H\n0.507542 0.358798 0.261403 H\n0.817183 0.979442 0.399691 H\n0.682817 0.100309 0.520558 H\n0.182816 0.020558 0.600309 H\n0.317183 -0.100309 0.479442 H\n0.750000 0.321716 0.178284 Cl\n0.250000 0.678284 0.821717 Cl\n0.389886 0.688768 0.230543 O\n0.850022 0.821582 0.522985 O\n0.889886 0.730543 0.188768 O\n0.610113 0.311232 0.769458 O\n0.110113 0.269458 0.811232 O\n0.649977 0.977015 0.678419 O\n0.937991 0.486877 0.350817 O\n0.858523 0.133281 0.895291 O\n0.062008 0.513123 0.649184 O\n0.437991 0.850816 -0.013123 O\n0.141477 0.866719 0.104709 O\n0.358523 0.395291 0.633281 O\n0.641477 0.604709 0.366719 O\n0.149977 0.178419 0.477015 O\n0.562009 0.149184 0.013123 O\n0.350023 0.022985 0.321581 O\n",
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{
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{
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"updated_at": "2022-09-04T14:38:26.642243Z",
"structure_string": "Ca4 Al2 Co2 O10\n1.0\n4.923781 -0.043712 -1.660218\n-0.577809 5.150446 -1.847419\n0.058227 0.045821 8.302747\nCa Al Co O\n4 2 2 10\ndirect\n0.116596 0.641544 0.218731 Ca\n0.398079 0.923004 0.781682 Ca\n0.898052 0.362354 0.781659 Ca\n0.616610 0.080904 0.218740 Ca\n0.293891 0.326390 0.500205 Al\n0.793904 0.677530 0.500207 Al\n0.496906 0.501950 0.000195 Co\n0.996916 0.001949 0.000195 Co\n0.262831 0.260834 0.025618 O\n0.237337 0.742988 0.974785 O\n0.822922 0.922319 0.706443 O\n0.116681 0.081594 0.293965 O\n0.635653 0.386847 0.500205 O\n0.616701 0.716112 0.293987 O\n0.135665 0.617064 0.500213 O\n0.762836 0.268485 0.025614 O\n0.322914 0.287803 0.706428 O\n0.737357 0.735494 0.974801 O\n",
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