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{
"id": "jvasp-35205",
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"structure_string": "Si2 Ge2 N4 O2\n1.0\n-0.232261 0.000000 5.025449\n2.825295 4.578126 0.106201\n-2.825295 4.578126 -0.106201\nSi Ge N O\n2 2 4 2\ndirect\n0.408785 0.012969 0.332920 Si\n0.408785 0.667081 0.987032 Si\n0.913651 0.325654 0.029366 Ge\n0.913651 0.970635 0.674347 Ge\n0.748400 0.659520 0.942882 N\n0.748400 0.057119 0.340481 N\n0.268993 0.334813 0.114992 N\n0.268993 0.885009 0.665188 N\n0.857027 0.267946 0.732055 O\n0.331315 0.799960 0.200041 O\n",
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{
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{
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"structure_string": "Na4 V8 O16\n1.0\n2.888669 0.000000 0.000000\n0.000000 9.205669 0.000000\n0.000000 0.000000 10.693955\nNa V O\n4 8 16\ndirect\n0.750000 0.258328 0.846938 Na\n0.750000 0.758328 0.653061 Na\n0.250000 0.241672 0.346938 Na\n0.250000 0.741672 0.153061 Na\n0.250000 0.586648 0.896121 V\n0.750000 0.438814 0.614584 V\n0.250000 0.061186 0.114585 V\n0.750000 0.938814 0.885415 V\n0.750000 0.913352 0.396121 V\n0.250000 0.086648 0.603879 V\n0.250000 0.561186 0.385415 V\n0.750000 0.413352 0.103879 V\n0.250000 0.793405 0.852479 O\n0.250000 0.388434 0.980038 O\n0.750000 0.521135 0.782871 O\n0.750000 0.021135 0.717128 O\n0.250000 0.078577 0.929442 O\n0.750000 0.206595 0.147520 O\n0.250000 0.293405 0.647520 O\n0.750000 0.421423 0.429442 O\n0.750000 0.706595 0.352480 O\n0.750000 0.111566 0.480038 O\n0.250000 0.978865 0.282871 O\n0.250000 0.578577 0.570558 O\n0.750000 0.921423 0.070558 O\n0.250000 0.478865 0.217128 O\n0.250000 0.888434 0.519962 O\n0.750000 0.611566 0.019962 O\n",
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{
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"updated_at": "2022-09-04T14:38:07.914003Z",
"structure_string": "Cu4 H12 N4 Cl4\n1.0\n-4.180805 4.180805 4.180805\n-4.180805 -4.180805 -4.180805\n4.180805 -4.180805 4.180805\nCu H N Cl\n4 12 4 4\ndirect\n0.000000 0.243549 0.000000 Cu\n0.499999 0.499999 0.243549 Cu\n0.756450 0.256450 0.256450 Cu\n0.743549 0.000000 0.499999 Cu\n0.134903 0.969470 0.988653 H\n0.646249 0.511345 0.980816 H\n0.488654 0.634903 0.969470 H\n0.853750 0.834568 0.865095 H\n0.019183 0.530528 0.665431 H\n0.365096 0.353750 0.834568 H\n0.165431 0.519182 0.530528 H\n0.030529 0.665431 0.519182 H\n0.480816 0.146249 0.511345 H\n0.334568 0.865095 0.353750 H\n0.011346 0.980816 0.146249 H\n0.469471 0.988653 0.634903 H\n0.499999 0.499999 0.980359 N\n0.000000 0.980359 0.000000 N\n0.480359 0.000000 0.499999 N\n0.019640 0.519639 0.519639 N\n0.499999 0.499999 0.536689 Cl\n0.000000 0.536689 0.000000 Cl\n0.036689 0.000000 0.499999 Cl\n0.463310 0.963310 0.963310 Cl\n",
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{
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"structure_string": "Mg4 Si2 O8\n1.0\n5.004587 -0.027449 2.969133\n1.678273 4.746875 2.906854\n0.069051 -0.027449 5.818666\nMg Si O\n4 2 8\ndirect\n0.110166 0.139833 0.110166 Mg\n0.500000 -0.000000 0.500000 Mg\n0.500000 0.499999 0.500000 Mg\n0.889834 0.860165 0.889834 Mg\n0.500000 0.499999 -0.000000 Si\n-0.000000 0.499999 0.500000 Si\n0.250078 0.284918 0.250078 O\n0.220766 0.289314 0.700603 O\n0.250078 0.714924 0.250078 O\n0.700603 0.289314 0.220766 O\n0.299397 0.710684 0.779234 O\n0.749923 0.285074 0.749922 O\n0.779234 0.710684 0.299397 O\n0.749922 0.715081 0.749922 O\n",
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{
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"created_at": "2022-09-04T14:38:07.909873Z",
"updated_at": "2022-09-04T14:38:07.909894Z",
"structure_string": "Zn4 Si4 N8\n1.0\n5.074498 0.000000 0.000000\n0.000000 5.283628 0.000000\n0.000000 0.000000 6.305187\nZn Si N\n4 4 8\ndirect\n0.994226 0.916332 0.375303 Zn\n0.494226 0.083668 0.624697 Zn\n0.494226 0.583669 0.875303 Zn\n0.994226 0.416332 0.124697 Zn\n0.493921 0.572705 0.374913 Si\n0.993921 0.427295 0.625087 Si\n0.993921 0.927295 0.874914 Si\n0.493921 0.072705 0.125087 Si\n0.148580 0.555503 0.401427 N\n0.648580 0.444498 0.598573 N\n0.648580 0.944498 0.901428 N\n0.148580 0.055503 0.098573 N\n0.089274 0.607922 0.847943 N\n0.589274 0.392079 0.152057 N\n0.589274 0.892079 0.347943 N\n0.089274 0.107921 0.652058 N\n",
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{
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"updated_at": "2022-09-04T14:38:07.905290Z",
"structure_string": "Tl1 Au3\n1.0\n-2.105417 2.105417 4.516384\n2.105417 -2.105417 4.516384\n2.105417 2.105417 -4.516384\nTl Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.750001 0.250000 0.500002 Au\n0.250000 0.750001 0.500002 Au\n0.500000 0.500000 0.000000 Au\n",
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{
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"structure_string": "Li2 Fe2 C4 O12\n1.0\n0.000000 4.534602 -0.501542\n7.935297 0.000000 0.000000\n0.000000 -1.446399 -5.625764\nLi Fe C O\n2 2 4 12\ndirect\n0.039732 0.948693 0.832467 Li\n0.960267 0.448692 0.167532 Li\n0.619758 0.985007 0.303389 Fe\n0.380240 0.485007 0.696610 Fe\n0.104866 0.759724 0.423358 C\n0.895133 0.259723 0.576641 C\n0.593608 0.737957 0.941593 C\n0.406391 0.237957 0.058406 C\n0.318954 0.736518 0.850629 O\n0.681045 0.236518 0.149370 O\n0.726259 0.877144 0.017600 O\n0.736566 0.599151 0.945590 O\n0.742195 0.392515 0.602629 O\n0.215800 0.608712 0.409997 O\n0.835815 0.776680 0.462376 O\n0.164184 0.276680 0.537624 O\n0.273741 0.377144 -0.017600 O\n0.257804 0.892515 0.397370 O\n0.784199 0.108712 0.590002 O\n0.263433 0.099151 0.054410 O\n",
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{
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"created_at": "2022-09-04T14:38:07.901663Z",
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"structure_string": "Li3 V6 O16\n1.0\n0.000000 6.690161 -0.017287\n3.613323 0.000000 0.000000\n0.000000 -3.043476 -11.470299\nLi V O\n3 6 16\ndirect\n0.817283 0.500000 0.319118 Li\n0.184301 0.000000 0.677085 Li\n0.527356 0.500000 0.951154 Li\n0.268509 0.500000 0.196902 V\n0.696693 0.000000 0.536165 V\n0.117773 0.500000 0.918076 V\n0.877245 0.000000 0.084467 V\n0.306237 0.500000 0.463714 V\n0.733420 0.000000 0.801375 V\n0.392715 0.000000 0.459038 O\n0.497776 0.000000 0.718039 O\n0.127338 0.500000 0.327095 O\n0.176047 0.500000 0.563812 O\n0.938043 0.500000 0.068446 O\n0.249289 0.500000 0.817646 O\n0.765803 0.000000 0.191840 O\n0.503022 0.500000 0.279865 O\n0.828276 0.000000 0.437096 O\n0.876421 0.000000 0.673205 O\n0.662690 0.000000 0.951918 O\n0.610552 0.500000 0.540604 O\n0.325638 0.500000 0.046149 O\n0.182930 0.000000 0.173704 O\n0.047231 0.000000 0.927748 O\n0.810233 0.500000 0.825571 O\n",
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{
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{
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{
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}