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{
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"structure_string": "Ni1 H6 Cl2\n1.0\n4.459344 0.244684 0.761082\n0.941929 4.365591 0.761082\n-0.083870 -0.071587 5.855769\nNi H Cl\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.245895 0.091495 0.787316 H\n0.754105 0.908504 0.212684 H\n0.908504 0.754104 0.212684 H\n0.091495 0.245894 0.787316 H\n0.481955 0.481954 0.443933 H\n0.518045 0.518044 0.556067 H\n0.803308 0.803307 0.765927 Cl\n0.196691 0.196691 0.234073 Cl\n",
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{
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"structure_string": "Zn1 H10 C7 O4\n1.0\n3.984261 -0.089927 0.998567\n2.263632 3.978225 0.677652\n0.191073 -0.356537 11.654953\nZn H C O\n1 10 7 4\ndirect\n0.820449 0.869417 0.816495 Zn\n0.266747 0.101557 0.430833 H\n0.417003 0.121091 0.200851 H\n0.926301 0.307339 0.202311 H\n0.799469 0.781837 0.323888 H\n0.290810 0.598431 0.320292 H\n0.437768 0.637361 0.102249 H\n0.954643 0.817017 0.099565 H\n0.134685 0.624048 0.534865 H\n0.645169 0.758629 0.556720 H\n0.772635 0.286696 0.438043 H\n0.929760 0.341385 0.659839 C\n0.927569 0.533194 0.544562 C\n0.006289 0.343394 0.433721 C\n0.060364 0.539545 0.320947 C\n0.156448 0.362712 0.204891 C\n0.213252 0.575572 0.098212 C\n0.331328 0.432629 0.975178 C\n0.282866 0.635823 0.888611 O\n0.980338 0.426623 0.750198 O\n0.884807 0.085476 0.661800 O\n0.488807 0.117540 0.964355 O\n",
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{
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"created_at": "2022-09-04T14:38:53.426473Z",
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"structure_string": "H1 C1 Cl1\n1.0\n2.389814 0.000000 0.000000\n0.000000 2.389814 0.000000\n0.000000 0.000000 7.081110\nH C Cl\n1 1 1\ndirect\n0.000000 0.000000 0.059236 H\n0.000000 0.000000 0.216599 C\n0.000000 0.000000 0.681468 Cl\n",
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{
"id": "jvasp-93183",
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"structure_string": "K1 Mg6 Ga1\n1.0\n7.747168 -0.852108 0.000000\n-4.611532 6.283189 0.000000\n0.000000 0.000000 4.749290\nK Mg Ga\n1 6 1\ndirect\n0.213964 0.286036 0.250000 K\n0.170441 0.819324 0.250000 Mg\n0.680676 0.329559 0.250000 Mg\n0.630852 0.869148 0.250000 Mg\n0.303788 0.686438 0.750000 Mg\n0.813562 0.196212 0.750000 Mg\n0.798467 0.701533 0.750000 Mg\n0.388252 0.111748 0.750000 Ga\n",
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{
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"updated_at": "2022-09-04T14:38:07.197791Z",
"structure_string": "Ti1 Mn1 H12 O6 F6\n1.0\n-4.887412 2.821750 3.276923\n-0.000000 -5.643497 3.276923\n4.887413 2.821748 3.276923\nTi Mn H O F\n1 1 12 6 6\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Mn\n0.217369 0.780050 0.723768 H\n0.723768 0.217368 0.780051 H\n0.975820 0.708834 0.647431 H\n0.647431 0.975821 0.708834 H\n0.352568 0.024177 0.291165 H\n0.219948 0.276229 0.782632 H\n0.276230 0.782632 0.219948 H\n0.780050 0.723770 0.217367 H\n0.782629 0.219949 0.276230 H\n0.291165 0.352567 0.024178 H\n0.708832 0.647431 0.975822 H\n0.024178 0.291165 0.352567 H\n0.233883 0.229076 0.921135 O\n0.078864 0.766118 0.770924 O\n0.770924 0.078863 0.766119 O\n0.229075 0.921137 0.233881 O\n0.766118 0.770924 0.078863 O\n0.921136 0.233882 0.229076 O\n0.450495 0.766470 0.621802 F\n0.378197 0.549504 0.233529 F\n0.549504 0.233530 0.378196 F\n0.766470 0.621802 0.450494 F\n0.233529 0.378196 0.549504 F\n0.621802 0.450495 0.766470 F\n",
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"created_at": "2022-09-04T14:37:05.663529Z",
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"structure_string": "K1 N1 O2\n1.0\n4.393646 -0.218195 -0.478745\n1.438394 3.753308 -0.038907\n1.141507 1.075989 4.137650\nK N O\n1 1 2\ndirect\n0.015646 0.964444 0.015646 K\n0.496051 0.558602 0.496051 N\n0.405876 0.404478 0.776427 O\n0.776428 0.404477 0.405876 O\n",
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{
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"created_at": "2022-09-04T14:38:11.113933Z",
"updated_at": "2022-09-04T14:38:11.113957Z",
"structure_string": "Na12 N4 O8\n1.0\n6.455452 -0.000000 0.000000\n0.000000 6.455452 0.000000\n0.000000 0.000000 9.211634\nNa N O\n12 4 8\ndirect\n0.000000 0.500000 0.000000 Na\n0.762869 0.237131 0.747671 Na\n0.737131 0.737131 0.752329 Na\n0.262869 0.262869 0.752329 Na\n0.237131 0.762869 0.747671 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.762869 0.237131 0.252329 Na\n0.737131 0.737131 0.247671 Na\n0.262869 0.262869 0.247671 Na\n0.237131 0.762869 0.252329 Na\n0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.882735 N\n0.500000 0.500000 0.617264 N\n0.500000 0.500000 0.382735 N\n0.000000 0.000000 0.117264 N\n0.500000 0.000000 0.750000 O\n0.117271 0.117271 0.000000 O\n0.500000 0.000000 0.250000 O\n0.000000 0.500000 0.250000 O\n0.382729 0.617271 0.500000 O\n0.617271 0.382729 0.500000 O\n0.000000 0.500000 0.750000 O\n0.882728 0.882728 0.000000 O\n",
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"structure_string": "Rb1 As1 Se1\n1.0\n6.477130 -0.000000 0.000000\n-0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nRb As Se\n1 1 1\ndirect\n0.379783 -0.001301 0.000000 Rb\n-0.004535 -0.055136 0.000000 As\n-0.001210 0.328464 0.000000 Se\n",
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"structure_string": "Li4 Be1 Se1\n1.0\n0.000000 3.642142 3.642142\n3.642142 0.000000 3.642142\n3.642142 3.642142 -0.000000\nLi Be Se\n4 1 1\ndirect\n0.122972 0.625675 0.625675 Li\n0.625675 0.625675 0.625675 Li\n0.625675 0.122972 0.625675 Li\n0.625675 0.625675 0.122972 Li\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Se\n",
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}