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{
"id": "jvasp-20518",
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{
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"structure_string": "H8 Br2 N2\n1.0\n5.703863 0.000000 0.000000\n0.000000 5.703863 0.000000\n0.000000 -0.000000 4.063732\nH Br N\n8 2 2\ndirect\n0.850113 0.000000 0.851906 H\n0.149886 0.000000 0.851906 H\n0.500000 0.350113 0.851906 H\n0.500000 0.649886 0.851906 H\n0.000000 0.149886 0.148093 H\n0.649886 0.500000 0.148093 H\n0.350113 0.500000 0.148093 H\n0.000000 0.850113 0.148093 H\n0.500000 0.000000 0.534375 Br\n0.000000 0.500000 0.465624 Br\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 N\n",
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{
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"structure_string": "Mg2 Cr4 O10\n1.0\n3.642537 -0.000000 0.000000\n-1.821268 4.972640 -0.000000\n0.000000 0.000000 11.128964\nMg Cr O\n2 4 10\ndirect\n0.898705 0.797409 0.750000 Mg\n0.101296 0.202592 0.250000 Mg\n0.210000 0.420001 0.596581 Cr\n0.790001 0.580000 0.403417 Cr\n0.790001 0.580000 0.096583 Cr\n0.210000 0.420001 0.903418 Cr\n0.697285 0.394568 0.250000 O\n0.302716 0.605433 0.750000 O\n0.229995 0.459988 0.077164 O\n0.770008 0.540013 0.922836 O\n0.770008 0.540013 0.577163 O\n0.229995 0.459988 0.422835 O\n0.047374 0.094748 0.629142 O\n0.952626 0.905251 0.370857 O\n0.047374 0.094748 0.870857 O\n0.952626 0.905251 0.129143 O\n",
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{
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"updated_at": "2022-09-04T14:37:27.924120Z",
"structure_string": "H4 Br1 N1\n1.0\n4.004667 0.000000 -0.000000\n0.000000 4.004667 0.000000\n-0.000000 0.000000 4.004667\nH Br N\n4 1 1\ndirect\n0.150637 0.150637 0.849364 H\n0.150637 0.849364 0.150637 H\n0.849364 0.150637 0.150637 H\n0.849364 0.849364 0.849364 H\n0.500000 0.500000 0.500000 Br\n0.000000 0.000000 0.000000 N\n",
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{
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{
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"structure_string": "Fe6 Ge2\n1.0\n2.564064 -4.441090 -0.000000\n2.564064 4.441090 -0.000000\n-0.000000 0.000000 4.203538\nFe Ge\n6 2\ndirect\n0.324106 0.162053 0.750000 Fe\n0.162053 0.837946 0.250000 Fe\n0.162053 0.324106 0.250000 Fe\n0.837945 0.675892 0.750000 Fe\n0.837946 0.162053 0.750000 Fe\n0.675892 0.837945 0.250000 Fe\n0.333332 0.666666 0.750000 Ge\n0.666666 0.333332 0.250000 Ge\n",
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{
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"structure_string": "V2 Bi4 O11\n1.0\n5.671017 0.069555 0.080768\n2.112572 6.050847 0.127163\n0.486080 0.891786 7.958204\nV Bi O\n2 4 11\ndirect\n0.937837 0.554923 0.598213 V\n0.123985 0.105988 0.156463 V\n0.109814 0.993579 0.676284 Bi\n0.672865 0.736903 0.993506 Bi\n0.453717 0.354948 0.823216 Bi\n0.587014 0.231438 0.321493 Bi\n0.236603 0.393336 0.540779 O\n0.976949 0.531305 0.819004 O\n0.750543 0.401582 0.564102 O\n0.485315 0.431505 0.079020 O\n0.905844 0.970636 0.192186 O\n0.269236 0.075680 0.953059 O\n0.446453 0.719250 0.779380 O\n0.792974 0.017603 0.845085 O\n0.369352 -0.004678 0.299973 O\n0.884847 0.837404 0.528748 O\n0.963252 0.372601 0.192587 O\n",
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{
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"created_at": "2022-09-04T14:36:10.683160Z",
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"structure_string": "Na2 Zr1 Ni1 P4 O14\n1.0\n6.472565 0.131690 0.823628\n0.111633 6.349931 2.649650\n0.136424 0.173555 6.556907\nNa Zr Ni P O\n2 1 1 4 14\ndirect\n0.466647 0.925120 0.415526 Na\n0.745156 0.591446 0.820532 Na\n0.989468 0.992380 0.031402 Zr\n0.298530 0.550632 0.205191 Ni\n0.262929 0.447957 0.749825 P\n0.507961 0.029196 0.877159 P\n0.032350 0.133902 0.466438 P\n0.772190 0.537652 0.325010 P\n0.333960 0.554224 0.886962 O\n0.589564 0.928416 0.719862 O\n0.063080 0.315108 0.869977 O\n0.954326 0.021561 0.333848 O\n0.315873 0.918537 0.049511 O\n0.437498 0.268426 0.736987 O\n0.969414 0.651194 0.157358 O\n0.861498 0.307593 0.482043 O\n0.239604 0.235794 0.353763 O\n0.695448 0.648660 0.475105 O\n0.616187 0.505195 0.191102 O\n0.243261 0.594201 0.505822 O\n0.672624 0.043834 0.020190 O\n0.039914 0.979462 0.712803 O\n",
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{
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"structure_string": "Cr2 O4\n1.0\n1.426535 -2.470830 -0.000000\n1.426535 2.470830 0.000000\n-0.000000 -0.000000 10.570026\nCr O\n2 4\ndirect\n0.333331 0.666665 0.750000 Cr\n0.666665 0.333331 0.250000 Cr\n0.666665 0.333331 0.405952 O\n0.333331 0.666665 0.905952 O\n0.666665 0.333331 0.094049 O\n0.333331 0.666665 0.594049 O\n",
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{
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"structure_string": "Rb4 H16 S4 N4 O16\n1.0\n6.080665 -0.000000 0.000000\n0.000000 7.612053 0.000000\n0.000000 0.000000 10.603413\nRb H S N O\n4 16 4 4 16\ndirect\n0.750001 0.822823 0.601463 Rb\n0.250000 0.677177 0.101463 Rb\n0.750001 0.322823 0.898537 Rb\n0.250000 0.177177 0.398537 Rb\n0.250000 0.587718 0.654251 H\n0.750001 0.514756 0.201867 H\n0.113377 0.392724 0.676197 H\n0.613377 0.107276 0.176197 H\n0.250000 0.485244 0.798132 H\n0.750001 0.912282 0.154251 H\n0.113377 0.892724 0.823803 H\n0.750001 0.412282 0.345749 H\n0.613377 0.607276 0.323803 H\n0.886624 0.607276 0.323803 H\n0.886624 0.107276 0.176197 H\n0.250000 0.087718 0.845749 H\n0.250000 0.985244 0.701867 H\n0.386623 0.892724 0.823803 H\n0.750001 0.014756 0.298132 H\n0.386623 0.392724 0.676197 H\n0.750001 0.766709 0.927245 S\n0.250000 0.733291 0.427245 S\n0.750001 0.266709 0.572754 S\n0.250000 0.233291 0.072754 S\n0.250000 0.967261 0.798162 N\n0.750001 0.532738 0.298162 N\n0.750001 0.032739 0.201837 N\n0.250000 0.467261 0.701837 N\n0.450333 0.308530 0.133847 O\n0.750001 0.959443 0.913527 O\n0.250000 0.284045 0.936133 O\n0.049667 0.308530 0.133847 O\n0.750001 0.459443 0.586473 O\n0.750001 0.715954 0.063866 O\n0.549667 0.191470 0.633847 O\n0.450333 0.808529 0.366153 O\n0.250000 0.784045 0.563866 O\n0.549667 0.691470 0.866153 O\n0.950334 0.191470 0.633847 O\n0.250000 0.540557 0.413527 O\n0.950334 0.691470 0.866153 O\n0.750001 0.215955 0.436134 O\n0.250000 0.040557 0.086473 O\n0.049667 0.808529 0.366153 O\n",
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{
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