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{
"id": "jvasp-71201",
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{
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{
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{
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"structure_string": "Ca1 Be2 Cu1\n1.0\n2.969719 -0.000000 0.000000\n-0.000000 2.969719 0.000000\n-0.000000 -0.000000 6.629185\nCa Be Cu\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.666374 Be\n0.000000 0.000000 0.333627 Be\n0.500000 0.500000 0.500000 Cu\n",
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{
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"created_at": "2022-09-04T14:36:15.110140Z",
"updated_at": "2022-09-04T14:36:15.110168Z",
"structure_string": "Ca1 Be1 Cu2\n1.0\n3.157930 0.000000 0.000000\n0.000000 3.157930 -0.000000\n0.000000 0.000000 6.298581\nCa Be Cu\n1 1 2\ndirect\n0.500000 0.500000 0.749207 Ca\n0.000000 0.000000 0.413565 Be\n0.000000 0.000000 0.061783 Cu\n0.500000 0.500000 0.275445 Cu\n",
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{
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"created_at": "2022-09-04T14:36:21.204026Z",
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"structure_string": "Ca2 Be1 Cu1\n1.0\n4.994941 0.000000 0.000000\n0.000000 4.994941 0.000000\n0.000000 0.000000 3.499135\nCa Be Cu\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 Ca\n0.000000 0.000000 0.499999 Be\n0.500000 0.500000 0.499999 Cu\n",
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{
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"structure_string": "Ca1 Be2 Fe1\n1.0\n-1.965719 1.965719 3.742731\n1.965719 -1.965719 3.742731\n1.965719 1.965719 -3.742731\nCa Be Fe\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.750000 0.250000 0.500000 Fe\n",
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{
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{
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"structure_string": "Ca1 Be2 Fe1\n1.0\n3.002452 0.000000 0.000000\n0.000000 3.002452 0.000000\n0.000000 0.000000 6.351278\nCa Be Fe\n1 2 1\ndirect\n0.000000 0.000000 0.517081 Ca\n0.000000 0.000000 0.962131 Be\n0.500000 0.500000 0.167096 Be\n0.500000 0.500000 0.853693 Fe\n",
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{
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"structure_string": "Ca1 Be1 Fe2\n1.0\n-2.172859 2.172859 3.073487\n2.172859 -2.172859 3.073487\n2.172859 2.172859 -3.073487\nCa Be Fe\n1 1 2\ndirect\n0.750000 0.250000 0.500000 Ca\n0.500001 0.500001 0.000000 Be\n0.000000 0.000000 0.000000 Fe\n0.250000 0.750000 0.500000 Fe\n",
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{
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"created_at": "2022-09-04T14:35:45.076984Z",
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"structure_string": "Ca2 Be1 Fe1\n1.0\n5.024026 0.000000 0.000000\n0.000000 5.024026 0.000000\n-0.000000 0.000000 3.421077\nCa Be Fe\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500000 Be\n0.500000 0.500000 0.500000 Fe\n",
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{
"id": "jvasp-97878",
"created_at": "2022-09-04T14:36:20.035257Z",
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"structure_string": "Li8 Ca12 Be12 Si12 O48 F8\n1.0\n10.536033 0.000000 -3.725050\n-5.268017 9.124473 -3.725050\n0.000000 0.000000 11.175151\nLi Ca Be Si O F\n8 12 12 12 48 8\ndirect\n0.500000 -0.000000 0.039776 Li\n0.039775 0.500000 -0.000000 Li\n-0.000000 0.039776 0.500000 Li\n-0.000000 0.543322 0.500000 Li\n0.543322 0.500000 -0.000000 Li\n0.956677 0.956677 0.956677 Li\n0.460224 0.460224 0.460224 Li\n0.500000 -0.000000 0.543322 Li\n0.336125 0.086125 0.250000 Ca\n0.413875 0.750000 0.163875 Ca\n0.086125 0.250000 0.336125 Ca\n0.656227 0.250000 0.906227 Ca\n0.843772 0.750000 0.593772 Ca\n0.906227 0.656227 0.250000 Ca\n0.163875 0.413875 0.750000 Ca\n0.749999 0.593772 0.843772 Ca\n0.249999 0.906227 0.656227 Ca\n0.593772 0.843772 0.750000 Ca\n0.750000 0.163875 0.413875 Ca\n0.250000 0.336125 0.086125 Ca\n0.459641 0.235791 0.035286 Be\n0.264208 0.723850 0.799495 Be\n0.075644 0.776149 0.040358 Be\n0.799495 0.264209 0.723850 Be\n0.235791 0.035286 0.459641 Be\n0.464713 0.700505 0.424355 Be\n0.035286 0.459641 0.235791 Be\n0.040359 0.075645 0.776150 Be\n0.776149 0.040359 0.075645 Be\n0.723850 0.799495 0.264209 Be\n0.424355 0.464714 0.700505 Be\n0.700505 0.424355 0.464714 Be\n0.531460 0.734708 0.955946 Si\n0.544053 0.278761 0.575513 Si\n0.221238 0.765292 0.296752 Si\n0.924486 0.203248 0.968540 Si\n0.296752 0.221239 0.765292 Si\n0.955946 0.531460 0.734708 Si\n0.968539 0.924486 0.203247 Si\n0.575513 0.544053 0.278761 Si\n0.278761 0.575513 0.544053 Si\n0.203247 0.968540 0.924486 Si\n0.734707 0.955946 0.531460 Si\n0.765292 0.296752 0.221239 Si\n0.595299 0.206936 0.088854 O\n0.859953 0.409554 0.182365 O\n0.273298 0.449073 0.590429 O\n0.591122 0.707743 0.094291 O\n0.409554 0.182366 0.859953 O\n0.411145 0.618082 0.506445 O\n0.888363 0.881918 0.293064 O\n0.088854 0.595299 0.206936 O\n0.772811 0.090446 0.950399 O\n0.496832 0.405709 0.113452 O\n0.618082 0.506445 0.411146 O\n0.175775 0.226702 0.817131 O\n0.449073 0.590429 0.273298 O\n0.881918 0.293064 0.888363 O\n0.324225 0.141356 0.050926 O\n0.094291 0.591123 0.707743 O\n0.317634 0.727188 0.677588 O\n0.640046 0.822412 0.549601 O\n0.226701 0.817131 0.175775 O\n0.908877 0.003168 0.116620 O\n0.293063 0.888363 0.881918 O\n0.707743 0.094291 0.591123 O\n0.003168 0.116620 0.908877 O\n0.383379 0.386548 0.792257 O\n0.182365 0.859953 0.409554 O\n0.506445 0.411146 0.618082 O\n0.549600 0.640046 0.822412 O\n0.727188 0.677588 0.317634 O\n0.909570 0.358644 0.682869 O\n0.677588 0.317634 0.727188 O\n0.950399 0.772811 0.090445 O\n0.682868 0.909570 0.358644 O\n0.386547 0.792257 0.383379 O\n0.904700 0.993555 0.611636 O\n0.141356 0.050926 0.324225 O\n0.792257 0.383380 0.386548 O\n0.611636 0.904700 0.993554 O\n0.822412 0.549601 0.640046 O\n0.090445 0.950399 0.772811 O\n0.817131 0.175775 0.226702 O\n0.050926 0.324225 0.141356 O\n0.206936 0.088854 0.595299 O\n0.993554 0.611637 0.904700 O\n0.116620 0.908877 0.003168 O\n0.113452 0.496832 0.405709 O\n0.405709 0.113452 0.496832 O\n0.358644 0.682869 0.909570 O\n0.590429 0.273298 0.449073 O\n0.500000 -0.000000 0.209132 F\n-0.000000 0.709169 0.500000 F\n0.709169 0.500000 -0.000000 F\n0.500000 -0.000000 0.709169 F\n-0.000000 0.209132 0.500000 F\n0.209132 0.500000 -0.000000 F\n0.290868 0.290868 0.290868 F\n0.790830 0.790830 0.790830 F\n",
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}