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{
"id": "jvasp-101882",
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"structure_string": "Sn1 H4 C3 O6\n1.0\n4.567388 -0.014961 -0.093348\n-0.650702 4.875326 -1.474005\n0.058160 -0.124099 6.705163\nSn H C O\n1 4 3 6\ndirect\n0.127067 0.133586 0.857375 Sn\n0.519581 0.656647 0.288288 H\n0.453769 0.450052 0.460371 H\n0.338418 0.604885 0.877794 H\n0.147400 0.956755 0.152849 H\n0.816188 0.347166 0.258329 C\n0.806484 0.773797 0.556942 C\n0.624432 0.553251 0.386045 C\n0.365511 0.421931 0.775967 O\n0.280678 0.927024 0.033740 O\n0.899084 0.398008 0.084859 O\n0.885320 0.157292 0.319390 O\n0.689192 0.937713 0.711450 O\n0.089294 0.804145 0.557518 O\n",
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"structure_string": "Li6 Mn1 Fe1 P2 C2 O14\n1.0\n0.000000 4.955103 0.108426\n6.379768 0.000000 0.000000\n0.000000 -0.854121 -8.539821\nLi Mn Fe P C O\n6 1 1 2 2 14\ndirect\n0.803940 0.500000 0.897173 Li\n0.270846 0.262285 0.731902 Li\n0.270846 0.737715 0.731902 Li\n0.729938 0.766588 0.267956 Li\n0.729938 0.233412 0.267956 Li\n0.195251 0.000000 0.104799 Li\n0.223615 0.500000 0.341463 Mn\n0.786162 0.000000 0.665724 Fe\n0.261475 0.000000 0.407335 P\n0.735066 0.500000 0.593951 P\n0.665023 0.000000 0.960391 C\n0.337344 0.500000 0.036813 C\n0.521582 0.500000 0.159829 O\n0.149446 0.812497 0.302527 O\n0.149446 0.187504 0.302527 O\n0.824539 0.500000 0.429317 O\n0.579141 0.000000 0.426600 O\n0.418247 0.500000 0.578381 O\n0.916927 0.000000 0.938162 O\n0.848019 0.689265 0.696805 O\n0.848019 0.310735 0.696805 O\n0.483946 0.000000 0.835729 O\n0.410826 0.500000 0.896603 O\n0.589475 0.000000 0.099834 O\n0.164807 0.000000 0.570156 O\n0.086131 0.500000 0.059352 O\n",
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"structure_string": "Ca1 As1 H1\n1.0\n-0.000000 3.232938 3.232938\n3.232938 -0.000000 3.232938\n3.232938 3.232938 -0.000000\nCa As H\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.750000 0.750000 As\n0.500000 0.500000 0.500000 H\n",
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"created_at": "2022-09-04T14:36:06.738470Z",
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"structure_string": "Mg6 Mo1 C1\n1.0\n6.889822 0.677690 0.000000\n-2.858014 4.950225 0.000000\n0.000000 0.000000 4.101205\nMg Mo C\n6 1 1\ndirect\n0.603823 0.301277 0.250000 Mg\n0.603823 0.802544 0.250000 Mg\n0.301410 0.138281 0.750001 Mg\n0.301410 0.663129 0.750001 Mg\n0.852342 0.176172 0.750001 Mg\n0.894074 0.697038 0.750001 Mg\n0.131010 0.315504 0.250000 Mo\n0.312105 0.906051 0.250000 C\n",
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"structure_string": "K2 Cu2 F6\n1.0\n5.637120 0.505607 -2.627460\n-3.492941 5.081746 -0.954741\n0.347529 -0.505607 6.209661\nK Cu F\n2 2 6\ndirect\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.500000 -0.000000 0.500000 Cu\n0.500000 0.500001 0.000000 Cu\n0.500000 0.250000 0.750000 F\n0.878817 0.689409 0.189409 F\n0.500001 0.810592 0.689409 F\n0.500001 0.750001 0.250000 F\n0.121184 0.310592 0.810592 F\n0.500000 0.189408 0.310592 F\n",
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"created_at": "2022-09-04T14:38:46.262919Z",
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"structure_string": "Li1 Mg1 As1\n1.0\n4.703080 -0.551016 0.000000\n-1.637710 4.444905 0.000000\n0.000000 0.000000 3.091127\nLi Mg As\n1 1 1\ndirect\n0.107845 0.420439 0.000000 Li\n-0.226279 -0.245216 0.000000 Mg\n0.435589 0.093034 0.000000 As\n",
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"structure_string": "Li4 Si6 Ni2 O16\n1.0\n0.000000 6.394744 0.127334\n8.114064 0.000000 0.000000\n0.000000 -1.927745 -6.431884\nLi Si Ni O\n4 6 2 16\ndirect\n0.832190 0.680617 0.244995 Li\n0.606230 0.182581 0.545872 Li\n0.393770 0.682581 0.454127 Li\n0.167810 0.180617 0.755005 Li\n0.782897 0.322730 0.933467 Si\n0.805314 0.834789 0.671570 Si\n0.576892 0.974017 0.951201 Si\n0.217104 0.822730 0.066533 Si\n0.423109 0.474017 0.048799 Si\n0.194686 0.334789 0.328430 Si\n0.004505 0.014274 0.365634 Ni\n-0.004504 0.514274 0.634366 Ni\n0.758573 0.683655 0.505944 O\n0.611177 0.166682 0.894485 O\n0.247794 0.409695 0.839178 O\n0.578624 0.863887 0.742162 O\n0.798781 0.359492 0.703493 O\n0.878095 0.012455 0.597727 O\n0.241427 0.183656 0.494056 O\n0.320322 0.974424 0.959710 O\n0.201219 0.859492 0.296507 O\n0.421376 0.363887 0.257838 O\n0.752206 0.909695 0.160822 O\n0.388823 0.666682 0.105515 O\n0.679678 0.474425 0.040290 O\n0.008397 0.265548 0.112384 O\n0.121905 0.512454 0.402273 O\n-0.008396 0.765548 0.887615 O\n",
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"structure_string": "K1 Rb2 Tb1 Cl6\n1.0\n6.776136 -0.000000 3.912204\n2.258712 6.388602 3.912204\n-0.000000 -0.000000 7.824408\nTb K Rb Cl\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.762549 0.237452 0.237451 Cl\n0.237452 0.237452 0.762548 Cl\n0.237452 0.762548 0.762548 Cl\n0.237452 0.762548 0.237452 Cl\n0.762549 0.237452 0.762548 Cl\n0.762548 0.762548 0.237451 Cl\n",
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"structure_string": "Li3 Nd1\n1.0\n0.000000 3.635651 3.635651\n3.635651 -0.000000 3.635651\n3.635651 3.635651 0.000000\nLi Nd\n3 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.249999 0.249999 0.249999 Li\n0.750000 0.750000 0.750000 Nd\n",
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"structure_string": "K2 Mg1 F4\n1.0\n3.815122 0.000000 -1.102952\n-0.318864 3.801773 -1.102952\n0.003828 0.004163 7.162991\nK Mg F\n2 1 4\ndirect\n0.648431 0.648430 0.296862 K\n0.351569 0.351568 0.703138 K\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 F\n0.500000 -0.000000 0.000000 F\n0.846764 0.846763 0.693529 F\n0.153236 0.153236 0.306471 F\n",
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"structure_string": "Cd1 H6 C5 O4\n1.0\n3.787436 0.011864 0.565973\n1.679253 4.749259 0.982085\n-0.001351 -0.186876 7.829217\nCd H C O\n1 6 5 4\ndirect\n0.843454 0.324149 0.222967 Cd\n0.728624 0.528040 0.628666 H\n0.095856 0.557992 0.724015 H\n0.424842 0.052380 0.587966 H\n0.125534 0.085738 0.861514 H\n0.785075 0.092036 0.683164 H\n0.363664 0.716068 0.891490 H\n0.105206 0.691361 0.452141 C\n0.886184 0.669959 0.630016 C\n0.625470 0.951084 0.685524 C\n0.401644 0.921392 0.865100 C\n0.578143 0.959494 0.015202 C\n0.260936 0.459317 0.384491 O\n0.143463 0.921634 0.384292 O\n0.486320 0.215988 0.049565 O\n0.811869 0.757074 0.097927 O\n",
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}